1-[(2-carbamimidoyl-3-propan-2-yloxy-phenyl)amino]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-(phenylmethyl)urea

Systemtic Name: 1-[(2-carbamimidoyl-3-propan-2-yloxy-phenyl)amino]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-(2-carbamimidoyl-3-isopropoxy-anilino)-3-[4-(2-methylsulfonylphenyl)phenyl]urea CAS Name: 1-(2-carbamimidoyl-3-propan-2-yloxyanilino)-3-[4-(2-methylsulfonylphenyl)phenyl]-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-(2-carbamimidoyl-3-propan-2-yloxyanilino)-3-[4-(2-methylsulfonylphenyl)phenyl]urea Traditional Name: 1-(2-amidino-3-isopropoxy-anilino)-1-benzyl-3-[4-(2-mesylphenyl)phenyl]urea Formula: C31H33N5O4S MolecularWeight: 571.68982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1C(=N)N)NN(CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1C(=N)N)NN(CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C31H33N5O4S/c1-21(2)40-27-14-9-13-26(29(27)30(32)33)35-36(20-22-10-5-4-6-11-22)31(37)34-24-18-16-23(17-19-24)25-12-7-8-15-28(25)41(3,38)39/h4-19,21,35H,20H2,1-3H3,(H3,32,33)(H,34,37)