3-chloranyl-N-(hexadecylcarbamothioyl)-6-methoxy-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(hexadecylcarbamothioyl)-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(hexadecylcarbamothioyl)-6-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(hexadecylamino)-sulfanylidenemethyl]-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(hexadecylcarbamothioyl)-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: N-(cetylthiocarbamoyl)-3-chloro-6-methoxy-benzothiophene-2-carboxamide Formula: C27H41ClN2O2S2 MolecularWeight: 525.20964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=C(C2=C(S1)C=C(C=C2)OC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=C(C2=C(S1)C=C(C=C2)OC)Cl

InChI

InChI=1S/C27H41ClN2O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-27(33)30-26(31)25-24(28)22-18-17-21(32-2)20-23(22)34-25/h17-18,20H,3-16,19H2,1-2H3,(H2,29,30,31,33)