N-[2-(3,3,5,11,13,13-hexamethyl-1,2-dithia-5,8,11-triazacyclotridec-8-yl)ethyl]-4-isothiocyanato-benzamide

Systemtic Name: N-[2-(3,3,5,11,13,13-hexamethyl-1,2-dithia-5,8,11-triazacyclotridec-8-yl)ethyl]-4-isothiocyanato-benzamide Openeye Name: N-[2-(3,3,5,11,13,13-hexamethyl-1,2-dithia-5,8,11-triazacyclotridec-8-yl)ethyl]-4-isothiocyanato-benzamide CAS Name: N-[2-(3,3,5,11,13,13-hexamethyl-1,2-dithia-5,8,11-triazacyclotridec-8-yl)ethyl]-4-isothiocyanatobenzamide IUPAC Name: N-[2-(3,3,5,11,13,13-hexamethyl-1,2-dithia-5,8,11-triazacyclotridec-8-yl)ethyl]-4-isothiocyanatobenzamide Traditional Name: N-[2-(3,3,5,11,13,13-hexamethyl-1,2-dithia-5,8,11-triazacyclotridec-8-yl)ethyl]-4-isothiocyanato-benzamide Formula: C24H39N5OS3 MolecularWeight: 509.79436

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN(CCN(CC(SS1)(C)C)C)CCNC(=O)C2=CC=C(C=C2)N=C=S)C)C

Isomeric SMILES

CC1(CN(CCN(CCN(CC(SS1)(C)C)C)CCNC(=O)C2=CC=C(C=C2)N=C=S)C)C

InChI

InChI=1S/C24H39N5OS3/c1-23(2)17-27(5)13-15-29(16-14-28(6)18-24(3,4)33-32-23)12-11-25-22(30)20-7-9-21(10-8-20)26-19-31/h7-10H,11-18H2,1-6H3,(H,25,30)