methyl 4-[2-(4-methoxyphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]benzoate

Systemtic Name: methyl 4-[2-(4-methoxyphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]benzoate Openeye Name: methyl 4-[2-(4-methoxyphenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]benzoate CAS Name: 4-[2-(4-methoxyphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-methoxyphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]benzoate Traditional Name: 4-[2-(4-methoxyphenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]benzoic acid methyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=S)C3=C(N2C4=CC=C(C=C4)C(=O)OC)CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)C3=C(N2C4=CC=C(C=C4)C(=O)OC)CCCC3

InChI

InChI=1S/C23H22N2O3S/c1-27-18-13-9-15(10-14-18)21-24-22(29)19-5-3-4-6-20(19)25(21)17-11-7-16(8-12-17)23(26)28-2/h7-14H,3-6H2,1-2H3