2-nitro-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide

Systemtic Name: 2-nitro-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide Openeye Name: N-[(1-benzyl-4-piperidyl)carbamothioyl]-2-nitro-benzamide CAS Name: 2-nitro-N-[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(1-benzyl-4-piperidyl)thiocarbamoyl]-2-nitro-benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c25-19(17-8-4-5-9-18(17)24(26)27)22-20(28)21-16-10-12-23(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H2,21,22,25,28)