4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-(3,6-dichlorobenzothiophene-2-carbonyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide CAS Name: 4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-N-(4-ethoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(3,6-dichloro-1-benzothiophene-2-carbonyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-(3,6-dichlorobenzothiophene-2-carbonyl)-N-p-phenetyl-piperazine-1-carboxamide Formula: C22H21Cl2N3O3S MolecularWeight: 478.39144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O3S/c1-2-30-16-6-4-15(5-7-16)25-22(29)27-11-9-26(10-12-27)21(28)20-19(24)17-8-3-14(23)13-18(17)31-20/h3-8,13H,2,9-12H2,1H3,(H,25,29)