propyl 4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C21H32N4O4S MolecularWeight: 436.56818

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)NCCN(CC)CC

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)NCCN(CC)CC

InChI

InChI=1S/C21H32N4O4S/c1-4-15-29-19(27)12-11-18(26)24-21(30)23-17-9-7-16(8-10-17)20(28)22-13-14-25(5-2)6-3/h7-10H,4-6,11-15H2,1-3H3,(H,22,28)(H2,23,24,26,30)