2-[4-[3-(carbamothioylamino)phenyl]carbonyl-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[3-(carbamothioylamino)phenyl]carbonyl-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[3-(carbamothioylamino)benzoyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[[3-(carbamothioylamino)phenyl]-oxomethyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[3-(carbamothioylamino)benzoyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(3-thioureidobenzoyl)-1,4-diazepan-1-yl]acetamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NC(=S)N)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NC(=S)N)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H27N5O2S/c23-22(30)25-19-9-4-8-18(14-19)21(29)27-11-5-10-26(12-13-27)16-20(28)24-15-17-6-2-1-3-7-17/h1-4,6-9,14H,5,10-13,15-16H2,(H,24,28)(H3,23,25,30)