N-[(2-chlorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[(2-chlorophenyl)methyl]-4-(2-thiazolylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(2-chlorobenzyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Formula: C17H21ClN4S2 MolecularWeight: 380.95844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NCC2=CC=CC=C2Cl)CC3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCC2=CC=CC=C2Cl)CC3=NC=CS3

InChI

InChI=1S/C17H21ClN4S2/c18-15-5-2-1-4-14(15)12-20-17(23)22-8-3-7-21(9-10-22)13-16-19-6-11-24-16/h1-2,4-6,11H,3,7-10,12-13H2,(H,20,23)