3-phenylpropyl 4-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[[4-(3-chloro-2-methyl-anilino)-4-oxo-butanoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[4-(3-chloro-2-methylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(3-chloro-2-methyl-anilino)-4-keto-butanoyl]amino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C25H29ClN4O5S MolecularWeight: 533.03956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H29ClN4O5S/c1-17-19(26)10-5-11-20(17)27-21(31)12-13-23(33)29-30-25(36)28-22(32)14-15-24(34)35-16-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-11H,6,9,12-16H2,1H3,(H,27,31)(H,29,33)(H2,28,30,32,36)