1-(3-carbamimidoylphenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]urea

Systemtic Name: 1-(3-carbamimidoylphenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]urea Openeye Name: 1-(3-carbamimidoylphenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]urea CAS Name: 1-(3-carbamimidoylphenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]urea IUPAC Name: 1-(3-carbamimidoylphenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]urea Traditional Name: 1-(3-amidinophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]urea Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C23H23N5O3S/c24-22(25)17-6-3-7-20(14-17)27-23(29)26-19-8-10-21(11-9-19)32(30,31)28-13-12-16-4-1-2-5-18(16)15-28/h1-11,14H,12-13,15H2,(H3,24,25)(H2,26,27,29)