1-(3-carbamimidoylphenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea

Systemtic Name: 1-(3-carbamimidoylphenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea Openeye Name: 1-(3-carbamimidoylphenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea CAS Name: 1-(3-carbamimidoylphenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-(3-carbamimidoylphenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea Traditional Name: 1-(3-amidinophenyl)-3-(6-mesyl-1,3-benzothiazol-2-yl)urea Formula: C16H15N5O3S2 MolecularWeight: 389.452

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C16H15N5O3S2/c1-26(23,24)11-5-6-12-13(8-11)25-16(20-12)21-15(22)19-10-4-2-3-9(7-10)14(17)18/h2-8H,1H3,(H3,17,18)(H2,19,20,21,22)