[4-(methylsulfanylmethyl)phenyl]-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]methanone

Systemtic Name: [4-(methylsulfanylmethyl)phenyl]-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]methanone Openeye Name: [4-(methylsulfanylmethyl)phenyl]-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: [4-[(methylthio)methyl]phenyl]-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: [4-(methylsulfanylmethyl)phenyl]-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: [4-[(methylthio)methyl]phenyl]-[4-(5-nitrothiophene-2-carbonyl)piperazino]methanone Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S2/c1-26-12-13-2-4-14(5-3-13)17(22)19-8-10-20(11-9-19)18(23)15-6-7-16(27-15)21(24)25/h2-7H,8-12H2,1H3