2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide Openeye Name: N-[4-(isopropylcarbamoylamino)phenyl]-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]propanamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide Traditional Name: N-[4-(isopropylcarbamoylamino)phenyl]-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=CC=C(C=C2)NC(=O)NC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=CC=C(C=C2)NC(=O)NC(C)C

InChI

InChI=1S/C22H28N4O3S/c1-14(2)23-22(29)26-19-11-9-18(10-12-19)25-21(28)16(4)30-13-20(27)24-17-7-5-15(3)6-8-17/h5-12,14,16H,13H2,1-4H3,(H,24,27)(H,25,28)(H2,23,26,29)