1-[(3-carbamimidoylphenyl)methyl]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-propyl-urea

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-propyl-urea Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-propyl-urea CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-propylurea IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-propylurea Traditional Name: 1-(3-amidinobenzyl)-3-[4-(2-mesylphenyl)phenyl]-1-propyl-urea Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC(=C1)C(=N)N)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCCN(CC1=CC=CC(=C1)C(=N)N)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C25H28N4O3S/c1-3-15-29(17-18-7-6-8-20(16-18)24(26)27)25(30)28-21-13-11-19(12-14-21)22-9-4-5-10-23(22)33(2,31)32/h4-14,16H,3,15,17H2,1-2H3,(H3,26,27)(H,28,30)