2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)ethanamide

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)ethanamide Openeye Name: N-(2-isopropyl-1,3-benzoxazol-5-yl)-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide IUPAC Name: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide Traditional Name: N-(2-isopropyl-1,3-benzoxazol-5-yl)-2-[[2-keto-2-(m-toluidino)ethyl]thio]acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC3=C(C=C2)OC(=N3)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC3=C(C=C2)OC(=N3)C(C)C

InChI

InChI=1S/C21H23N3O3S/c1-13(2)21-24-17-10-16(7-8-18(17)27-21)23-20(26)12-28-11-19(25)22-15-6-4-5-14(3)9-15/h4-10,13H,11-12H2,1-3H3,(H,22,25)(H,23,26)