S-(prop-2-enylamino) 2-azanyl-4-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-methyl-4-oxidanylidene-butanethioate

Systemtic Name: S-(prop-2-enylamino) 2-azanyl-4-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-methyl-4-oxidanylidene-butanethioate Openeye Name: S-(allylamino) 2-amino-4-(2-benzoyl-4-chloro-anilino)-2-methyl-4-oxo-butanethioate CAS Name: 2-amino-4-(2-benzoyl-4-chloroanilino)-2-methyl-4-oxobutanethioic acid S-(prop-2-enylamino) ester IUPAC Name: S-(prop-2-enylamino) 2-amino-4-(2-benzoyl-4-chloroanilino)-2-methyl-4-oxobutanethioate Traditional Name: 2-amino-4-(2-benzoyl-4-chloro-anilino)-4-keto-2-methyl-butanethioic acid S-(allylamino) ester Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)(C(=O)SNCC=C)N

Isomeric SMILES

CC(CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)(C(=O)SNCC=C)N

InChI

InChI=1S/C21H22ClN3O3S/c1-3-11-24-29-20(28)21(2,23)13-18(26)25-17-10-9-15(22)12-16(17)19(27)14-7-5-4-6-8-14/h3-10,12,24H,1,11,13,23H2,2H3,(H,25,26)