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

Systemtic Name: N-[(2-aminocarbonylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2-carbamoylphenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(2-carbamoylanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2-carbamoylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2-carbamoylphenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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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=C3C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c21-18(26)14-6-2-3-7-15(14)22-20(30)23-19(27)13-8-9-16(17(12-13)25(28)29)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11H2,(H2,21,26)(H2,22,23,27,30)