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

Systemtic Name: N-[(3-benzamidophenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(3-benzamidophenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(3-benzamidoanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(3-benzamidophenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(3-benzamidophenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C26H25N5O4S MolecularWeight: 503.5728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O4S/c32-24(18-8-3-1-4-9-18)27-20-10-7-11-21(17-20)28-26(36)29-25(33)19-12-13-22(23(16-19)31(34)35)30-14-5-2-6-15-30/h1,3-4,7-13,16-17H,2,5-6,14-15H2,(H,27,32)(H2,28,29,33,36)