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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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