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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-4-tert-butyl-benzamide CAS Name: N-[[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-4-tert-butyl-benzamide Formula: C27H27N3OS3 MolecularWeight: 505.71778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3OS3/c1-27(2,3)17-14-12-16(13-15-17)23(31)29-26(32)30-25-22(18-8-4-6-10-20(18)33-25)24-28-19-9-5-7-11-21(19)34-24/h5,7,9,11-15H,4,6,8,10H2,1-3H3,(H2,29,30,31,32)