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

Systemtic Name: methyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-(diethylamino)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S/c1-4-19(5-2)14-10-8-13(9-11-14)18-16(22)17-12-6-7-15(20)21-3/h8-11H,4-7,12H2,1-3H3,(H2,17,18,22)