N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-chloranyl-6-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-chloranyl-6-methyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methyl-N-[4-(4-sec-butylphenyl)thiazol-2-yl]benzothiophene-2-carboxamide CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-3-chloro-6-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-chloro-6-methyl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methyl-N-[4-(4-sec-butylphenyl)thiazol-2-yl]benzothiophene-2-carboxamide Formula: C23H21ClN2OS2 MolecularWeight: 441.00864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)C)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)C)Cl

InChI

InChI=1S/C23H21ClN2OS2/c1-4-14(3)15-6-8-16(9-7-15)18-12-28-23(25-18)26-22(27)21-20(24)17-10-5-13(2)11-19(17)29-21/h5-12,14H,4H2,1-3H3,(H,25,26,27)