3-[[4-(2-carbamimidoylthiophen-3-yl)phenyl]methyl]-1,1-diphenyl-urea

Systemtic Name: 3-[[4-(2-carbamimidoylthiophen-3-yl)phenyl]methyl]-1,1-diphenyl-urea Openeye Name: 3-[[4-(2-carbamimidoyl-3-thienyl)phenyl]methyl]-1,1-diphenyl-urea CAS Name: 3-[[4-(2-carbamimidoyl-3-thiophenyl)phenyl]methyl]-1,1-diphenylurea IUPAC Name: 3-[[4-(2-carbamimidoylthiophen-3-yl)phenyl]methyl]-1,1-diphenylurea Traditional Name: 3-[4-(2-amidino-3-thienyl)benzyl]-1,1-diphenyl-urea Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C4=C(SC=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C4=C(SC=C4)C(=N)N

InChI

InChI=1S/C25H22N4OS/c26-24(27)23-22(15-16-31-23)19-13-11-18(12-14-19)17-28-25(30)29(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-16H,17H2,(H3,26,27)(H,28,30)