3-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,4-dimethylanilino)-2-oxo-ethyl]sulfanyl-N-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]-N-(2-methoxyethyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[[2-(3,4-dimethylanilino)-2-keto-ethyl]thio]-4-keto-N-(2-methoxyethyl)-3-piperonyl-quinazoline-7-carboxamide Formula: C30H30N4O6S MolecularWeight: 574.6474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)NCCOC)C(=O)N2CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)NCCOC)C(=O)N2CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C30H30N4O6S/c1-18-4-7-22(12-19(18)2)32-27(35)16-41-30-33-24-14-21(28(36)31-10-11-38-3)6-8-23(24)29(37)34(30)15-20-5-9-25-26(13-20)40-17-39-25/h4-9,12-14H,10-11,15-17H2,1-3H3,(H,31,36)(H,32,35)