N-[3-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-oxidanylidene-propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-oxidanylidene-propyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-propyl]thiophene-2-carboxamide CAS Name: N-[3-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-3-oxopropyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide Traditional Name: N-[3-keto-3-(4-veratroylpiperazino)propyl]thiophene-2-carboxamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCNC(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCNC(=O)C3=CC=CS3)OC

InChI

InChI=1S/C21H25N3O5S/c1-28-16-6-5-15(14-17(16)29-2)21(27)24-11-9-23(10-12-24)19(25)7-8-22-20(26)18-4-3-13-30-18/h3-6,13-14H,7-12H2,1-2H3,(H,22,26)