N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-homoveratryl-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H26N4O4S/c1-28-19-8-3-16(15-20(19)29-2)9-10-22-21(30)24-13-11-23(12-14-24)17-4-6-18(7-5-17)25(26)27/h3-8,15H,9-14H2,1-2H3,(H,22,30)