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

Systemtic Name: 1-[(2-carbamimidoyl-3-ethenoxy-phenyl)amino]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-(2-carbamimidoyl-3-vinyloxy-anilino)-3-[4-(2-methylsulfonylphenyl)phenyl]urea CAS Name: 1-(2-carbamimidoyl-3-ethenoxyanilino)-3-[4-(2-methylsulfonylphenyl)phenyl]-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-(2-carbamimidoyl-3-ethenoxyanilino)-3-[4-(2-methylsulfonylphenyl)phenyl]urea Traditional Name: 1-(2-amidino-3-vinyloxy-anilino)-1-benzyl-3-[4-(2-mesylphenyl)phenyl]urea Formula: C30H29N5O4S MolecularWeight: 555.64736

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)N(CC3=CC=CC=C3)NC4=C(C(=CC=C4)OC=C)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)N(CC3=CC=CC=C3)NC4=C(C(=CC=C4)OC=C)C(=N)N

InChI

InChI=1S/C30H29N5O4S/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/h3-19,34H,1,20H2,2H3,(H3,31,32)(H,33,36)