N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-benzyl-1,4-diazepane-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-benzyl-1,4-diazepane-1-carbothioamide Traditional Name: 4-benzyl-N-piperonyl-1,4-diazepane-1-carbothioamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S/c27-21(22-14-18-7-8-19-20(13-18)26-16-25-19)24-10-4-9-23(11-12-24)15-17-5-2-1-3-6-17/h1-3,5-8,13H,4,9-12,14-16H2,(H,22,27)