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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCN(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/c1-3-4-16-30(29-21-9-7-8-19(17-21)24(26)27)25(31)28-20-14-12-18(13-15-20)22-10-5-6-11-23(22)34(2,32)33/h5-15,17,29H,3-4,16H2,1-2H3,(H3,26,27)(H,28,31)