N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-ethylsulfanyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-ethylsulfanyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-ethylsulfanyl-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(ethylthio)benzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-ethylsulfanylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(ethylthio)benzamide Formula: C24H22N2OS3 MolecularWeight: 450.63928

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H22N2OS3/c1-2-28-16-9-7-8-15(14-16)22(27)26-24-21(17-10-3-5-12-19(17)29-24)23-25-18-11-4-6-13-20(18)30-23/h4,6-9,11,13-14H,2-3,5,10,12H2,1H3,(H,26,27)