N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C(=O)NCCC1=CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H31N3O4S/c1-18(25(31)28-16-15-19-9-5-4-6-10-19)35-27-29-22-12-8-7-11-21(22)26(32)30(27)20-13-14-23(33-2)24(17-20)34-3/h7-9,11-14,17-18H,4-6,10,15-16H2,1-3H3,(H,28,31)