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

Systemtic Name: N-(3-ethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-ethylphenyl)-4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(3-ethylphenyl)-4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-ethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-ethylphenyl)-4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C19H26N4S2 MolecularWeight: 374.56654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=CSC(=N3)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=CSC(=N3)C

InChI

InChI=1S/C19H26N4S2/c1-3-16-6-4-7-17(12-16)21-19(24)23-9-5-8-22(10-11-23)13-18-14-25-15(2)20-18/h4,6-7,12,14H,3,5,8-11,13H2,1-2H3,(H,21,24)