ethyl 4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]carbothioylamino]butanoate

Systemtic Name: ethyl 4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]carbothioylamino]butanoate Openeye Name: ethyl 4-[[4-(3-thienylmethyl)-1,4-diazepane-1-carbothioyl]amino]butanoate CAS Name: 4-[[sulfanylidene-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(3-thenyl)-1,4-diazepane-1-carbothioyl]amino]butyric acid ethyl ester Formula: C17H27N3O2S2 MolecularWeight: 369.54518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)N1CCCN(CC1)CC2=CSC=C2

Isomeric SMILES

CCOC(=O)CCCNC(=S)N1CCCN(CC1)CC2=CSC=C2

InChI

InChI=1S/C17H27N3O2S2/c1-2-22-16(21)5-3-7-18-17(23)20-9-4-8-19(10-11-20)13-15-6-12-24-14-15/h6,12,14H,2-5,7-11,13H2,1H3,(H,18,23)