N-(4-ethylphenyl)-4-[3-methoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: N-(4-ethylphenyl)-4-[3-methoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-(4-ethylphenyl)-4-[3-methoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: N-(4-ethylphenyl)-4-[3-methoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-(4-ethylphenyl)-4-[3-methoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N-(4-ethylphenyl)-4-[4-[2-keto-2-(phenethylamino)ethoxy]-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C31H34N4O4S MolecularWeight: 558.69106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C=C3)OCC(=O)NCCC4=CC=CC=C4)OC)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C=C3)OCC(=O)NCCC4=CC=CC=C4)OC)C

InChI

InChI=1S/C31H34N4O4S/c1-4-21-10-13-24(14-11-21)34-30(37)28-20(2)33-31(40)35-29(28)23-12-15-25(26(18-23)38-3)39-19-27(36)32-17-16-22-8-6-5-7-9-22/h5-15,18,29H,4,16-17,19H2,1-3H3,(H,32,36)(H,34,37)(H2,33,35,40)