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

Systemtic Name: 4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(3,6-dichlorobenzothiophene-2-carbonyl)-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: 4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,6-dichloro-1-benzothiophene-2-carbonyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(3,6-dichlorobenzothiophene-2-carbonyl)-N-(2-furfuryl)piperazine-1-carbothioamide Formula: C19H17Cl2N3O2S2 MolecularWeight: 454.39318

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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)NCC4=CC=CO4

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=S)NCC4=CC=CO4

InChI

InChI=1S/C19H17Cl2N3O2S2/c20-12-3-4-14-15(10-12)28-17(16(14)21)18(25)23-5-7-24(8-6-23)19(27)22-11-13-2-1-9-26-13/h1-4,9-10H,5-8,11H2,(H,22,27)