N-[(5-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(5-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(5-chloro-2-hydroxy-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(5-chloro-2-hydroxyanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(5-chloro-2-hydroxy-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C19H19ClN4O4S MolecularWeight: 434.89656

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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=CC(=C3)Cl)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O4S/c20-13-5-7-17(25)14(11-13)21-19(29)22-18(26)12-4-6-15(16(10-12)24(27)28)23-8-2-1-3-9-23/h4-7,10-11,25H,1-3,8-9H2,(H2,21,22,26,29)