1-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-phenyl]urea CAS Name: 1-[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylphenyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]urea Traditional Name: 1-[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-phenyl]-3-benzyl-urea Formula: C27H26N4O3S3 MolecularWeight: 550.71534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NCC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NCC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC

InChI

InChI=1S/C27H26N4O3S3/c1-17-8-6-13-21(31-27(32)30-16-18-9-4-3-5-10-18)24(17)19-11-7-12-20(14-19)37(33,34)23-15-22(25(28)29)36-26(23)35-2/h3-15H,16H2,1-2H3,(H3,28,29)(H2,30,31,32)