N-(2,2-diphenylethyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2,2-diphenylethyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(2,2-diphenylethyl)-4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(2,2-diphenylethyl)-4-(3-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2,2-diphenylethyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(2,2-diphenylethyl)-4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C26H30N4S MolecularWeight: 430.6082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NCC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C26H30N4S/c31-26(30-16-8-15-29(17-18-30)21-22-9-7-14-27-19-22)28-20-25(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-7,9-14,19,25H,8,15-18,20-21H2,(H,28,31)