methyl 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamothioylamino]butanoate CAS Name: 4-[[[[4-(1-pyrrolidinylmethyl)phenyl]methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamothioylamino]butanoate Traditional Name: 4-[[4-(pyrrolidinomethyl)benzyl]thiocarbamoylamino]butyric acid methyl ester Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NCC1=CC=C(C=C1)CN2CCCC2

Isomeric SMILES

COC(=O)CCCNC(=S)NCC1=CC=C(C=C1)CN2CCCC2

InChI

InChI=1S/C18H27N3O2S/c1-23-17(22)5-4-10-19-18(24)20-13-15-6-8-16(9-7-15)14-21-11-2-3-12-21/h6-9H,2-5,10-14H2,1H3,(H2,19,20,24)