N-(5-chloranyl-2-methoxy-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C18H19ClN4O3S MolecularWeight: 406.88646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O3S/c1-26-17-7-2-13(19)12-16(17)20-18(27)22-10-8-21(9-11-22)14-3-5-15(6-4-14)23(24)25/h2-7,12H,8-11H2,1H3,(H,20,27)