4-azanyl-N-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)carbonyl-2-(prop-2-enylamino)thiophene-3-carboxamide

Systemtic Name: 4-azanyl-N-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)carbonyl-2-(prop-2-enylamino)thiophene-3-carboxamide Openeye Name: 2-(allylamino)-4-amino-N-(4-chlorophenyl)-5-(3,4-dimethoxybenzoyl)thiophene-3-carboxamide CAS Name: 4-amino-N-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)-oxomethyl]-2-(prop-2-enylamino)-3-thiophenecarboxamide IUPAC Name: 4-amino-N-(4-chlorophenyl)-5-(3,4-dimethoxybenzoyl)-2-(prop-2-enylamino)thiophene-3-carboxamide Traditional Name: 2-(allylamino)-4-amino-N-(4-chlorophenyl)-5-veratroyl-thiophene-3-carboxamide Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=C(C(=C(S2)NCC=C)C(=O)NC3=CC=C(C=C3)Cl)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=C(C(=C(S2)NCC=C)C(=O)NC3=CC=C(C=C3)Cl)N)OC

InChI

InChI=1S/C23H22ClN3O4S/c1-4-11-26-23-18(22(29)27-15-8-6-14(24)7-9-15)19(25)21(32-23)20(28)13-5-10-16(30-2)17(12-13)31-3/h4-10,12,26H,1,11,25H2,2-3H3,(H,27,29)