N-tert-butyl-7-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-tert-butyl-7-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-7-[(4-tert-butylbenzoyl)carbamothioylamino]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-tert-butyl-7-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-7-[(4-tert-butylbenzoyl)carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-7-[(4-tert-butylbenzoyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxamide Formula: C25H28ClN3O2S2 MolecularWeight: 502.09172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2SC(=C3Cl)C(=O)NC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2SC(=C3Cl)C(=O)NC(C)(C)C

InChI

InChI=1S/C25H28ClN3O2S2/c1-24(2,3)15-12-10-14(11-13-15)21(30)28-23(32)27-17-9-7-8-16-18(26)20(33-19(16)17)22(31)29-25(4,5)6/h7-13H,1-6H3,(H,29,31)(H2,27,28,30,32)