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

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(3-thienylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[(2-chlorophenyl)methyl]-4-(3-thiophenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(2-chlorobenzyl)-4-(3-thenyl)-1,4-diazepane-1-carbothioamide Formula: C18H22ClN3S2 MolecularWeight: 379.97038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NCC2=CC=CC=C2Cl)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCC2=CC=CC=C2Cl)CC3=CSC=C3

InChI

InChI=1S/C18H22ClN3S2/c19-17-5-2-1-4-16(17)12-20-18(23)22-8-3-7-21(9-10-22)13-15-6-11-24-14-15/h1-2,4-6,11,14H,3,7-10,12-13H2,(H,20,23)