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

Systemtic Name: N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(4-chloro-2-nitrophenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C19H18ClN5O5S MolecularWeight: 463.89472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O5S/c20-13-5-6-14(16(11-13)24(27)28)21-19(31)22-18(26)12-4-7-15(17(10-12)25(29)30)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9H2,(H2,21,22,26,31)