N-[bis(azanyl)methylidene]-3-(cyclohexylcarbamothioylamino)benzamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-3-(cyclohexylcarbamothioylamino)benzamide hydrochloride Openeye Name: 3-(cyclohexylcarbamothioylamino)-N-(diaminomethylene)benzamide hydrochloride CAS Name: 3-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-N-(diaminomethylidene)benzamide hydrochloride IUPAC Name: 3-(cyclohexylcarbamothioylamino)-N-(diaminomethylidene)benzamide hydrochloride Traditional Name: 3-(cyclohexylthiocarbamoylamino)-N-(diaminomethylene)benzamide hydrochloride Formula: C15H22ClN5OS MolecularWeight: 355.88608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC2=CC=CC(=C2)C(=O)N=C(N)N.Cl

Isomeric SMILES

C1CCC(CC1)NC(=S)NC2=CC=CC(=C2)C(=O)N=C(N)N.Cl

InChI

InChI=1S/C15H21N5OS.ClH/c16-14(17)20-13(21)10-5-4-8-12(9-10)19-15(22)18-11-6-2-1-3-7-11;/h4-5,8-9,11H,1-3,6-7H2,(H2,18,19,22)(H4,16,17,20,21);1H