N-(2-ethoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-ethoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-ethoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(2-methylthiazol-4-yl)methyl]-N-o-phenetyl-1,4-diazepane-1-carbothioamide Formula: C19H26N4OS2 MolecularWeight: 390.56594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CSC(=N3)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CSC(=N3)C

InChI

InChI=1S/C19H26N4OS2/c1-3-24-18-8-5-4-7-17(18)21-19(25)23-10-6-9-22(11-12-23)13-16-14-26-15(2)20-16/h4-5,7-8,14H,3,6,9-13H2,1-2H3,(H,21,25)