2-[(2-chloranyl-4-methyl-phenyl)carbamothioylamino]ethyl-cyclohexyl-cyclopentyl-azanium

Systemtic Name: 2-[(2-chloranyl-4-methyl-phenyl)carbamothioylamino]ethyl-cyclohexyl-cyclopentyl-azanium Openeye Name: 2-[(2-chloro-4-methyl-phenyl)carbamothioylamino]ethyl-cyclohexyl-cyclopentyl-ammonium CAS Name: 2-[[(2-chloro-4-methylanilino)-sulfanylidenemethyl]amino]ethyl-cyclohexyl-cyclopentylammonium IUPAC Name: 2-[(2-chloro-4-methylphenyl)carbamothioylamino]ethyl-cyclohexyl-cyclopentylazanium Traditional Name: 2-[(2-chloro-4-methyl-phenyl)thiocarbamoylamino]ethyl-cyclohexyl-cyclopentyl-ammonium Formula: C21H33ClN3S+ MolecularWeight: 395.02482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NCC[NH+](C2CCCCC2)C3CCCC3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NCC[NH+](C2CCCCC2)C3CCCC3)Cl

InChI

InChI=1S/C21H32ClN3S/c1-16-11-12-20(19(22)15-16)24-21(26)23-13-14-25(18-9-5-6-10-18)17-7-3-2-4-8-17/h11-12,15,17-18H,2-10,13-14H2,1H3,(H2,23,24,26)/p+1