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

Systemtic Name: 1-[(3-carbamimidoylphenyl)amino]-1-(2-methylpropyl)-3-[4-(2-methylsulfonylphenyl)phenyl]urea Openeye Name: 1-(3-carbamimidoylanilino)-1-isobutyl-3-[4-(2-methylsulfonylphenyl)phenyl]urea CAS Name: 1-(3-carbamimidoylanilino)-1-(2-methylpropyl)-3-[4-(2-methylsulfonylphenyl)phenyl]urea IUPAC Name: 1-(3-carbamimidoylanilino)-1-(2-methylpropyl)-3-[4-(2-methylsulfonylphenyl)phenyl]urea Traditional Name: 1-(3-amidinoanilino)-1-isobutyl-3-[4-(2-mesylphenyl)phenyl]urea Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(C)CN(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)NC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C25H29N5O3S/c1-17(2)16-30(29-21-8-6-7-19(15-21)24(26)27)25(31)28-20-13-11-18(12-14-20)22-9-4-5-10-23(22)34(3,32)33/h4-15,17,29H,16H2,1-3H3,(H3,26,27)(H,28,31)