N-[bis(azanyl)methylidene]-4-(2-methylphenyl)sulfanyl-3-methylsulfonyl-benzamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-4-(2-methylphenyl)sulfanyl-3-methylsulfonyl-benzamide hydrochloride Openeye Name: N-(diaminomethylene)-3-methylsulfonyl-4-(o-tolylsulfanyl)benzamide hydrochloride CAS Name: N-(diaminomethylidene)-4-[(2-methylphenyl)thio]-3-methylsulfonylbenzamide hydrochloride IUPAC Name: N-(diaminomethylidene)-4-(2-methylphenyl)sulfanyl-3-methylsulfonylbenzamide hydrochloride Traditional Name: N-(diaminomethylene)-3-mesyl-4-(o-tolylthio)benzamide hydrochloride Formula: C16H18ClN3O3S2 MolecularWeight: 399.91542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C.Cl

Isomeric SMILES

CC1=CC=CC=C1SC2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C.Cl

InChI

InChI=1S/C16H17N3O3S2.ClH/c1-10-5-3-4-6-12(10)23-13-8-7-11(15(20)19-16(17)18)9-14(13)24(2,21)22;/h3-9H,1-2H3,(H4,17,18,19,20);1H