2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(4-methoxy-2-nitro-phenyl)propanamide

Systemtic Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: 2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 2-[4-(benzothiophen-3-ylmethyl)piperazino]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])N2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])N2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C23H26N4O4S/c1-16(23(28)24-20-8-7-18(31-2)13-21(20)27(29)30)26-11-9-25(10-12-26)14-17-15-32-22-6-4-3-5-19(17)22/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,24,28)