1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(E)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl]thiourea

Systemtic Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(E)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl]thiourea Openeye Name: 1-[(E)-N-(benzenesulfonyl)-C-phenyl-carbonimidoyl]-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-[(E)-benzenesulfonylimino(phenyl)methyl]-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-[(E)-N-besyl-C-phenyl-carbonimidoyl]-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea Formula: C23H20N4O3S3 MolecularWeight: 496.6249

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=NS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)N/C(=N/S(=O)(=O)C3=CC=CC=C3)/C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O3S3/c1-2-30-17-13-14-19-20(15-17)32-23(24-19)26-22(31)25-21(16-9-5-3-6-10-16)27-33(28,29)18-11-7-4-8-12-18/h3-15H,2H2,1H3,(H2,24,25,26,27,31)