3-[[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]carbamoyl]benzamide

Systemtic Name: 3-[[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]carbamoyl]benzamide Openeye Name: 3-[[(5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]carbamoyl]benzamide CAS Name: 3-[[[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-oxomethyl]benzamide IUPAC Name: 3-[[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]carbamoyl]benzamide Traditional Name: 3-[[(5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]carbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=CC(=C3)C(=O)N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C21H25N3O3S/c1-21(2,3)15-7-8-16-14(10-15)11-17(28-16)20(27)24-23-19(26)13-6-4-5-12(9-13)18(22)25/h4-6,9,11,15H,7-8,10H2,1-3H3,(H2,22,25)(H,23,26)(H,24,27)