1-(3-carbamimidoylphenyl)-3-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylphenyl]thiourea

Systemtic Name: 1-(3-carbamimidoylphenyl)-3-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylphenyl]thiourea Openeye Name: 1-(3-carbamimidoylphenyl)-3-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylphenyl]thiourea CAS Name: 1-(3-carbamimidoylphenyl)-3-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylphenyl]thiourea IUPAC Name: 1-(3-carbamimidoylphenyl)-3-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylphenyl]thiourea Traditional Name: 1-(3-amidinophenyl)-3-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylphenyl]thiourea Formula: C22H23N5O3S2 MolecularWeight: 469.57972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NCCO)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NCCO)C(=N)N

InChI

InChI=1S/C22H23N5O3S2/c23-21(24)15-2-1-3-18(14-15)27-22(31)26-17-6-10-20(11-7-17)32(29,30)19-8-4-16(5-9-19)25-12-13-28/h1-11,14,25,28H,12-13H2,(H3,23,24)(H2,26,27,31)