methyl 4-[[[4-(diethylamino)phenyl]carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[[4-(diethylamino)phenyl]carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[[4-(diethylamino)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[4-(diethylamino)benzoyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C17H26N4O3S MolecularWeight: 366.47834

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C17H26N4O3S/c1-4-21(5-2)14-10-8-13(9-11-14)16(23)19-20-17(25)18-12-6-7-15(22)24-3/h8-11H,4-7,12H2,1-3H3,(H,19,23)(H2,18,20,25)