N-(3-cyanophenyl)-7-methoxy-2-(2,6,9-trimethyl-5-propyl-undecyl)-2H-1,3-benzothiazole-3-carbothioamide

Systemtic Name: N-(3-cyanophenyl)-7-methoxy-2-(2,6,9-trimethyl-5-propyl-undecyl)-2H-1,3-benzothiazole-3-carbothioamide Openeye Name: N-(3-cyanophenyl)-7-methoxy-2-(2,6,9-trimethyl-5-propyl-undecyl)-2H-1,3-benzothiazole-3-carbothioamide CAS Name: N-(3-cyanophenyl)-7-methoxy-2-(2,6,9-trimethyl-5-propylundecyl)-2H-1,3-benzothiazole-3-carbothioamide IUPAC Name: N-(3-cyanophenyl)-7-methoxy-2-(2,6,9-trimethyl-5-propylundecyl)-2H-1,3-benzothiazole-3-carbothioamide Traditional Name: N-(3-cyanophenyl)-7-methoxy-2-(2,6,9-trimethyl-5-propyl-undecyl)-2H-1,3-benzothiazole-3-carbothioamide Formula: C33H47N3OS2 MolecularWeight: 565.87578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(C)CC1N(C2=C(S1)C(=CC=C2)OC)C(=S)NC3=CC=CC(=C3)C#N)C(C)CCC(C)CC

Isomeric SMILES

CCCC(CCC(C)CC1N(C2=C(S1)C(=CC=C2)OC)C(=S)NC3=CC=CC(=C3)C#N)C(C)CCC(C)CC

InChI

InChI=1S/C33H47N3OS2/c1-7-11-27(25(5)18-16-23(3)8-2)19-17-24(4)20-31-36(29-14-10-15-30(37-6)32(29)39-31)33(38)35-28-13-9-12-26(21-28)22-34/h9-10,12-15,21,23-25,27,31H,7-8,11,16-20H2,1-6H3,(H,35,38)