N-[4-[3-[(4-chlorophenyl)methylamino]-4-nitro-phenyl]piperazin-1-yl]carbothioylthiophene-2-carboxamide

Systemtic Name: N-[4-[3-[(4-chlorophenyl)methylamino]-4-nitro-phenyl]piperazin-1-yl]carbothioylthiophene-2-carboxamide Openeye Name: N-[4-[3-[(4-chlorophenyl)methylamino]-4-nitro-phenyl]piperazine-1-carbothioyl]thiophene-2-carboxamide CAS Name: N-[[4-[3-[(4-chlorophenyl)methylamino]-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[3-[(4-chlorophenyl)methylamino]-4-nitrophenyl]piperazine-1-carbothioyl]thiophene-2-carboxamide Traditional Name: N-[4-[3-[(4-chlorobenzyl)amino]-4-nitro-phenyl]piperazine-1-carbothioyl]thiophene-2-carboxamide Formula: C23H22ClN5O3S2 MolecularWeight: 516.03548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl)C(=S)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl)C(=S)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H22ClN5O3S2/c24-17-5-3-16(4-6-17)15-25-19-14-18(7-8-20(19)29(31)32)27-9-11-28(12-10-27)23(33)26-22(30)21-2-1-13-34-21/h1-8,13-14,25H,9-12,15H2,(H,26,30,33)