N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(2,3-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2,3-dimethyl-6-nitrophenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2,3-dimethyl-6-nitro-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N5O5S/c1-13-6-8-17(25(28)29)19(14(13)2)22-21(32)23-20(27)15-7-9-16(18(12-15)26(30)31)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11H2,1-2H3,(H2,22,23,27,32)