N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide

Systemtic Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4CC4

InChI

InChI=1S/C22H23N3O3S/c1-13-3-7-16(8-4-13)23-20(26)12-29-14(2)21(27)24-17-9-10-19-18(11-17)25-22(28-19)15-5-6-15/h3-4,7-11,14-15H,5-6,12H2,1-2H3,(H,23,26)(H,24,27)