1-[(3-carbamimidoylphenyl)amino]-3-[[4-(2-methylsulfonylphenyl)phenyl]amino]-1-pentyl-urea

Systemtic Name: 1-[(3-carbamimidoylphenyl)amino]-3-[[4-(2-methylsulfonylphenyl)phenyl]amino]-1-pentyl-urea Openeye Name: 1-(3-carbamimidoylanilino)-3-[4-(2-methylsulfonylphenyl)anilino]-1-pentyl-urea CAS Name: 1-(3-carbamimidoylanilino)-3-[4-(2-methylsulfonylphenyl)anilino]-1-pentylurea IUPAC Name: 1-(3-carbamimidoylanilino)-3-[4-(2-methylsulfonylphenyl)anilino]-1-pentylurea Traditional Name: 1-(3-amidinoanilino)-1-amyl-3-[4-(2-mesylphenyl)anilino]urea Formula: C26H32N6O3S MolecularWeight: 508.63568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(=O)NNC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CCCCCN(C(=O)NNC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)NC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C26H32N6O3S/c1-3-4-7-17-32(31-22-10-8-9-20(18-22)25(27)28)26(33)30-29-21-15-13-19(14-16-21)23-11-5-6-12-24(23)36(2,34)35/h5-6,8-16,18,29,31H,3-4,7,17H2,1-2H3,(H3,27,28)(H,30,33)