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

Systemtic Name: 4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(3,6-dichlorobenzothiophene-2-carbonyl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(3,6-dichloro-1-benzothiophene-2-carbonyl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(3,6-dichlorobenzothiophene-2-carbonyl)-N-phenyl-piperazine-1-carbothioamide Formula: C20H17Cl2N3OS2 MolecularWeight: 450.40448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=S)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C20H17Cl2N3OS2/c21-13-6-7-15-16(12-13)28-18(17(15)22)19(26)24-8-10-25(11-9-24)20(27)23-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,23,27)