methyl 2-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]carbothioylamino]ethanoate

Systemtic Name: methyl 2-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[4-(3-thienylmethyl)-1,4-diazepane-1-carbothioyl]amino]acetate CAS Name: 2-[[sulfanylidene-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioyl]amino]acetate Traditional Name: 2-[[4-(3-thenyl)-1,4-diazepane-1-carbothioyl]amino]acetic acid methyl ester Formula: C14H21N3O2S2 MolecularWeight: 327.46544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=S)N1CCCN(CC1)CC2=CSC=C2

Isomeric SMILES

COC(=O)CNC(=S)N1CCCN(CC1)CC2=CSC=C2

InChI

InChI=1S/C14H21N3O2S2/c1-19-13(18)9-15-14(20)17-5-2-4-16(6-7-17)10-12-3-8-21-11-12/h3,8,11H,2,4-7,9-10H2,1H3,(H,15,20)