N-(3-ethylphenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-ethylphenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-ethylphenyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(3-ethylphenyl)-4-(2-thiazolylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-ethylphenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-ethylphenyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Formula: C18H24N4S2 MolecularWeight: 360.53996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=NC=CS3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=NC=CS3

InChI

InChI=1S/C18H24N4S2/c1-2-15-5-3-6-16(13-15)20-18(23)22-9-4-8-21(10-11-22)14-17-19-7-12-24-17/h3,5-7,12-13H,2,4,8-11,14H2,1H3,(H,20,23)