N-(3-ethylphenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-ethylphenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-ethylphenyl)-4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(3-ethylphenyl)-4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-ethylphenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-ethylphenyl)-4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=NOC(=C3)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=NOC(=C3)C

InChI

InChI=1S/C19H26N4OS/c1-3-16-6-4-7-17(13-16)20-19(25)23-9-5-8-22(10-11-23)14-18-12-15(2)24-21-18/h4,6-7,12-13H,3,5,8-11,14H2,1-2H3,(H,20,25)