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

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(2-furylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[(2-chlorophenyl)methyl]-4-(2-furanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(2-chlorobenzyl)-4-(2-furfuryl)-1,4-diazepane-1-carbothioamide Formula: C18H22ClN3OS MolecularWeight: 363.90478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NCC2=CC=CC=C2Cl)CC3=CC=CO3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCC2=CC=CC=C2Cl)CC3=CC=CO3

InChI

InChI=1S/C18H22ClN3OS/c19-17-7-2-1-5-15(17)13-20-18(24)22-9-4-8-21(10-11-22)14-16-6-3-12-23-16/h1-3,5-7,12H,4,8-11,13-14H2,(H,20,24)