1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenyl-urea

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenyl-urea Openeye Name: 1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-phenyl-urea CAS Name: 1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenylurea IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenylurea Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-phenyl-urea Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)NC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)NC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H19N3OS2/c26-22(23-14-8-2-1-3-9-14)25-21-19(15-10-4-6-12-17(15)27-21)20-24-16-11-5-7-13-18(16)28-20/h1-3,5,7-9,11,13H,4,6,10,12H2,(H2,23,25,26)