N-[(4-butylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O3S/c1-2-3-7-17-8-11-19(12-9-17)24-23(31)25-22(28)18-10-13-20(21(16-18)27(29)30)26-14-5-4-6-15-26/h8-13,16H,2-7,14-15H2,1H3,(H2,24,25,28,31)