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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioamide Formula: C17H17ClN4O3S2 MolecularWeight: 424.92488

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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)[N+](=O)[O-])Cl

Isomeric SMILES

C=CCNC(=S)N1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN4O3S2/c1-2-5-19-17(26)21-8-6-20(7-9-21)16(23)15-14(18)12-4-3-11(22(24)25)10-13(12)27-15/h2-4,10H,1,5-9H2,(H,19,26)