N-[3-(2-azanyl-1,3-thiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-(2-azanyl-1,3-thiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(2-aminothiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[3-(2-amino-4-thiazolyl)-2,5-dimethyl-1-pyrrolyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(2-aminothiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]-3-chloro-benzothiophene-2-carboxamide Formula: C18H15ClN4OS2 MolecularWeight: 402.9209

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C)C4=CSC(=N4)N

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C)C4=CSC(=N4)N

InChI

InChI=1S/C18H15ClN4OS2/c1-9-7-12(13-8-25-18(20)21-13)10(2)23(9)22-17(24)16-15(19)11-5-3-4-6-14(11)26-16/h3-8H,1-2H3,(H2,20,21)(H,22,24)