3-(aminocarbonylamino)-5-(2-dimethylaminoethyl)-3-[(3-methylphenyl)methylsulfanyl]-2H-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-(aminocarbonylamino)-5-(2-dimethylaminoethyl)-3-[(3-methylphenyl)methylsulfanyl]-2H-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(2-dimethylaminoethyl)-3-(m-tolylmethylsulfanyl)-3-ureido-2H-isothiazole-4-carboxylic acid CAS Name: 3-(carbamoylamino)-5-(2-dimethylaminoethyl)-3-[(3-methylphenyl)methylthio]-2H-isothiazole-4-carboxylic acid IUPAC Name: 3-(carbamoylamino)-5-(2-dimethylaminoethyl)-3-[(3-methylphenyl)methylsulfanyl]-2H-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(2-dimethylaminoethyl)-3-[(3-methylbenzyl)thio]-3-ureido-4-isothiazoline-4-carboxylic acid Formula: C17H24N4O3S2 MolecularWeight: 396.52746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2(C(=C(SN2)CCN(C)C)C(=O)O)NC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)CSC2(C(=C(SN2)CCN(C)C)C(=O)O)NC(=O)N

InChI

InChI=1S/C17H24N4O3S2/c1-11-5-4-6-12(9-11)10-25-17(19-16(18)24)14(15(22)23)13(26-20-17)7-8-21(2)3/h4-6,9,20H,7-8,10H2,1-3H3,(H,22,23)(H3,18,19,24)