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

Systemtic Name: methyl 4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 4-methyl-3-[[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]thiophene-2-carboxylate CAS Name: 4-methyl-3-[[[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]thiophene-2-carboxylate Traditional Name: 4-methyl-3-[[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H24N4O2S3 MolecularWeight: 424.60376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1NC(=S)N2CCCN(CC2)CC3=CSC(=N3)C)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1NC(=S)N2CCCN(CC2)CC3=CSC(=N3)C)C(=O)OC

InChI

InChI=1S/C18H24N4O2S3/c1-12-10-27-16(17(23)24-3)15(12)20-18(25)22-6-4-5-21(7-8-22)9-14-11-26-13(2)19-14/h10-11H,4-9H2,1-3H3,(H,20,25)