N-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[3-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC5=C(S4)CCCC5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC5=C(S4)CCCC5

InChI

InChI=1S/C27H26N4O3S/c1-17-24(27(34)31(30(17)2)21-12-4-3-5-13-21)29-25(32)19-10-8-11-20(15-19)28-26(33)23-16-18-9-6-7-14-22(18)35-23/h3-5,8,10-13,15-16H,6-7,9,14H2,1-2H3,(H,28,33)(H,29,32)