N-[bis(azanyl)methylidene]-2-ethyl-4-(3-methylphenyl)sulfanyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-4-(3-methylphenyl)sulfanyl-5-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-5-methylsulfonyl-4-(m-tolylsulfanyl)benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-4-[(3-methylphenyl)thio]-5-methylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-4-(3-methylphenyl)sulfanyl-5-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-5-mesyl-4-(m-tolylthio)benzamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)SC2=CC=CC(=C2)C

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)SC2=CC=CC(=C2)C

InChI

InChI=1S/C18H21N3O3S2/c1-4-12-9-15(25-13-7-5-6-11(2)8-13)16(26(3,23)24)10-14(12)17(22)21-18(19)20/h5-10H,4H2,1-3H3,(H4,19,20,21,22)