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

Systemtic Name: 2-[4-[3-(carbamothioylamino)phenyl]carbonyl-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[3-(carbamothioylamino)benzoyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[3-(carbamothioylamino)phenyl]-oxomethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[3-(carbamothioylamino)benzoyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: N-phenyl-2-[4-(3-thioureidobenzoyl)-1,4-diazepan-1-yl]acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NC(=S)N)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NC(=S)N)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O2S/c22-21(29)24-18-9-4-6-16(14-18)20(28)26-11-5-10-25(12-13-26)15-19(27)23-17-7-2-1-3-8-17/h1-4,6-9,14H,5,10-13,15H2,(H,23,27)(H3,22,24,29)