3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]propionamide Formula: C14H18BrN3O3S MolecularWeight: 388.28002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCSCC(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCSCC(=O)N

InChI

InChI=1S/C14H18BrN3O3S/c1-9-6-10(15)2-3-11(9)18-14(21)7-17-13(20)4-5-22-8-12(16)19/h2-3,6H,4-5,7-8H2,1H3,(H2,16,19)(H,17,20)(H,18,21)