4-chloranyl-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]-3-nitro-benzamide Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN3O3S/c17-13-7-6-12(10-14(13)20(22)23)15(21)19-16(24)18-9-8-11-4-2-1-3-5-11/h4,6-7,10H,1-3,5,8-9H2,(H2,18,19,21,24)