phenethyl 4-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H26N4O5S/c29-20(12-13-21(30)33-15-14-16-4-2-1-3-5-16)26-24(34)28-27-23(32)18-8-10-19(11-9-18)25-22(31)17-6-7-17/h1-5,8-11,17H,6-7,12-15H2,(H,25,31)(H,27,32)(H2,26,28,29,34)