2-[4-[[4-(diethylamino)phenyl]carbamothioyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[[4-(diethylamino)phenyl]carbamothioyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[[4-(diethylamino)phenyl]carbamothioyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[[4-(diethylamino)anilino]-sulfanylidenemethyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[[4-(diethylamino)phenyl]carbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[[4-(diethylamino)phenyl]thiocarbamoyl]-1,4-diazepan-1-yl]acetamide Formula: C25H35N5OS MolecularWeight: 453.6433

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H35N5OS/c1-3-29(4-2)23-13-11-22(12-14-23)27-25(32)30-16-8-15-28(17-18-30)20-24(31)26-19-21-9-6-5-7-10-21/h5-7,9-14H,3-4,8,15-20H2,1-2H3,(H,26,31)(H,27,32)