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

Systemtic Name: N-[bis(azanyl)methylidene]-4-(2,4-dimethylphenyl)sulfanyl-3-methylsulfonyl-benzamide hydrochloride Openeye Name: N-(diaminomethylene)-4-(2,4-dimethylphenyl)sulfanyl-3-methylsulfonyl-benzamide hydrochloride CAS Name: N-(diaminomethylidene)-4-[(2,4-dimethylphenyl)thio]-3-methylsulfonylbenzamide hydrochloride IUPAC Name: N-(diaminomethylidene)-4-(2,4-dimethylphenyl)sulfanyl-3-methylsulfonylbenzamide hydrochloride Traditional Name: N-(diaminomethylene)-4-[(2,4-dimethylphenyl)thio]-3-mesyl-benzamide hydrochloride Formula: C17H20ClN3O3S2 MolecularWeight: 413.942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C)C.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C)C.Cl

InChI

InChI=1S/C17H19N3O3S2.ClH/c1-10-4-6-13(11(2)8-10)24-14-7-5-12(16(21)20-17(18)19)9-15(14)25(3,22)23;/h4-9H,1-3H3,(H4,18,19,20,21);1H