N-phenethyl-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-phenethyl-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-benzyl-N-phenethyl-1,4-diazepane-1-carbothioamide CAS Name: N-phenethyl-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-benzyl-N-phenethyl-1,4-diazepane-1-carbothioamide Traditional Name: 4-benzyl-N-phenethyl-1,4-diazepane-1-carbothioamide Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NCCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3S/c25-21(22-13-12-19-8-3-1-4-9-19)24-15-7-14-23(16-17-24)18-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2,(H,22,25)