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

Systemtic Name: 4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazine-1-carbothioamide CAS Name: 4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(3,6-dichloro-1-benzothiophene-2-carbonyl)-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazine-1-carbothioamide Formula: C17H17Cl2N3OS2 MolecularWeight: 414.37238

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

C=CCNC(=S)N1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H17Cl2N3OS2/c1-2-5-20-17(24)22-8-6-21(7-9-22)16(23)15-14(19)12-4-3-11(18)10-13(12)25-15/h2-4,10H,1,5-9H2,(H,20,24)