N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-pyrrol-1-yl-thiophene-2-carboxamide

Systemtic Name: N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-pyrrol-1-yl-thiophene-2-carboxamide Openeye Name: N-[4-[4-(2-acetamidoethyl)phenyl]thiazol-2-yl]-3-pyrrol-1-yl-thiophene-2-carboxamide CAS Name: N-[4-[4-(2-acetamidoethyl)phenyl]-2-thiazolyl]-3-(1-pyrrolyl)-2-thiophenecarboxamide IUPAC Name: N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide Traditional Name: N-[4-[4-(2-acetamidoethyl)phenyl]thiazol-2-yl]-3-pyrrol-1-yl-thiophene-2-carboxamide Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C22H20N4O2S2/c1-15(27)23-10-8-16-4-6-17(7-5-16)18-14-30-22(24-18)25-21(28)20-19(9-13-29-20)26-11-2-3-12-26/h2-7,9,11-14H,8,10H2,1H3,(H,23,27)(H,24,25,28)