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

Systemtic Name: dimethyl 2-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]carbothioylamino]butanedioate Openeye Name: dimethyl 2-[[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]butanedioate CAS Name: 2-[[[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-sulfanylidenemethyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]butanedioate Traditional Name: 2-[[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]succinic acid dimethyl ester Formula: C17H26N4O5S MolecularWeight: 398.47714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=S)NC(CC(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=S)NC(CC(=O)OC)C(=O)OC

InChI

InChI=1S/C17H26N4O5S/c1-12-9-13(19-26-12)11-20-5-4-6-21(8-7-20)17(27)18-14(16(23)25-3)10-15(22)24-2/h9,14H,4-8,10-11H2,1-3H3,(H,18,27)