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

Systemtic Name: 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(2-methylthiazol-4-yl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(2-methyl-4-thiazolyl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(2-methylthiazol-4-yl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Formula: C20H28N4S2 MolecularWeight: 388.59312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N2CCCN(CC2)CC3=CSC(=N3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N2CCCN(CC2)CC3=CSC(=N3)C)C

InChI

InChI=1S/C20H28N4S2/c1-14-10-16(3)19(11-15(14)2)22-20(25)24-7-5-6-23(8-9-24)12-18-13-26-17(4)21-18/h10-11,13H,5-9,12H2,1-4H3,(H,22,25)