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

Systemtic Name: 1-[(2-carbamimidoyl-3-ethoxy-phenyl)amino]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-(2-carbamimidoyl-3-ethoxy-anilino)-3-[4-(2-methylsulfonylphenyl)phenyl]urea CAS Name: 1-(2-carbamimidoyl-3-ethoxyanilino)-3-[4-(2-methylsulfonylphenyl)phenyl]-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-(2-carbamimidoyl-3-ethoxyanilino)-3-[4-(2-methylsulfonylphenyl)phenyl]urea Traditional Name: 1-(2-amidino-3-ethoxy-anilino)-1-benzyl-3-[4-(2-mesylphenyl)phenyl]urea Formula: C30H31N5O4S MolecularWeight: 557.66324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C30H31N5O4S/c1-3-39-26-14-9-13-25(28(26)29(31)32)34-35(20-21-10-5-4-6-11-21)30(36)33-23-18-16-22(17-19-23)24-12-7-8-15-27(24)40(2,37)38/h4-19,34H,3,20H2,1-2H3,(H3,31,32)(H,33,36)