N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[3-[oxo-[(phenylmethyl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide Formula: C24H21N3O2S2 MolecularWeight: 447.57244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=C(C=C3)N=CS4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=C(C=C3)N=CS4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C24H21N3O2S2/c28-22(16-10-11-18-20(12-16)30-14-26-18)27-24-21(17-8-4-5-9-19(17)31-24)23(29)25-13-15-6-2-1-3-7-15/h1-3,6-7,10-12,14H,4-5,8-9,13H2,(H,25,29)(H,27,28)