6-tert-butyl-2-(3-phenylprop-2-ynoylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-tert-butyl-2-(3-phenylprop-2-ynoylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-N-isopropyl-2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-2-(3-phenylprop-2-ynoylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-N-isopropyl-2-[(3-phenylpropioloyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O2S/c1-16(2)26-23(29)22-19-13-12-18(25(3,4)5)15-20(19)30-24(22)27-21(28)14-11-17-9-7-6-8-10-17/h6-10,16,18H,12-13,15H2,1-5H3,(H,26,29)(H,27,28)