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

Systemtic Name: methyl 2-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]acetate CAS Name: 2-[[[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]acetate Traditional Name: 2-[[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]acetic acid methyl ester Formula: C14H22N4O3S MolecularWeight: 326.41448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O3S/c1-11-8-12(16-21-11)10-17-4-3-5-18(7-6-17)14(22)15-9-13(19)20-2/h8H,3-7,9-10H2,1-2H3,(H,15,22)