N-[4-[2-[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[2-[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[2-[7-chloro-4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanylacetyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[2-[[3-(4-butan-2-ylphenyl)-7-chloro-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[2-[3-(4-butan-2-ylphenyl)-7-chloro-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[2-[[7-chloro-4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]acetyl]phenyl]-3-methyl-butyramide Formula: C31H32ClN3O3S MolecularWeight: 562.12208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C4=CC=C(C=C4)NC(=O)CC(C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C4=CC=C(C=C4)NC(=O)CC(C)C

InChI

InChI=1S/C31H32ClN3O3S/c1-5-20(4)21-8-13-25(14-9-21)35-30(38)26-15-10-23(32)17-27(26)34-31(35)39-18-28(36)22-6-11-24(12-7-22)33-29(37)16-19(2)3/h6-15,17,19-20H,5,16,18H2,1-4H3,(H,33,37)