1-[N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-(4-methylphenyl)sulfonyl-urea

Systemtic Name: 1-[N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-(4-methylphenyl)sulfonyl-urea Openeye Name: 1-[N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-(p-tolylsulfonyl)urea CAS Name: 1-[amino(1,3-benzothiazol-2-ylimino)methyl]-3-(4-methylphenyl)sulfonylurea IUPAC Name: 1-[N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-(4-methylphenyl)sulfonylurea Traditional Name: 1-[N'-(1,3-benzothiazol-2-yl)amidino]-3-tosyl-urea Formula: C16H15N5O3S2 MolecularWeight: 389.452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(=NC2=NC3=CC=CC=C3S2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(=NC2=NC3=CC=CC=C3S2)N

InChI

InChI=1S/C16H15N5O3S2/c1-10-6-8-11(9-7-10)26(23,24)21-15(22)19-14(17)20-16-18-12-4-2-3-5-13(12)25-16/h2-9H,1H3,(H4,17,18,19,20,21,22)