methyl 4-methyl-3-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]carbothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 4-methyl-3-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 4-methyl-3-[[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]thiophene-2-carboxylate CAS Name: 4-methyl-3-[[[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]thiophene-2-carboxylate Traditional Name: 4-methyl-3-[[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=S)NC3=C(SC=C3C)C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=S)NC3=C(SC=C3C)C(=O)OC

InChI

InChI=1S/C18H24N4O3S2/c1-12-11-27-16(17(23)24-3)15(12)19-18(26)22-6-4-5-21(7-8-22)10-14-9-13(2)25-20-14/h9,11H,4-8,10H2,1-3H3,(H,19,26)