N-[(4-butan-2-ylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: 3-nitro-4-(1-piperidyl)-N-[(4-sec-butylphenyl)carbamothioyl]benzamide CAS Name: N-[(4-butan-2-ylanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: 3-nitro-4-piperidino-N-[(4-sec-butylphenyl)thiocarbamoyl]benzamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O3S/c1-3-16(2)17-7-10-19(11-8-17)24-23(31)25-22(28)18-9-12-20(21(15-18)27(29)30)26-13-5-4-6-14-26/h7-12,15-16H,3-6,13-14H2,1-2H3,(H2,24,25,28,31)