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

Systemtic Name: methyl 2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]acetate CAS Name: 2-[[[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]acetate Traditional Name: 2-[[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]acetic acid methyl ester Formula: C14H22N4O2S2 MolecularWeight: 342.48008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=S)NCC(=O)OC

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=S)NCC(=O)OC

InChI

InChI=1S/C14H22N4O2S2/c1-11-16-12(10-22-11)9-17-4-3-5-18(7-6-17)14(21)15-8-13(19)20-2/h10H,3-9H2,1-2H3,(H,15,21)