7-azanyl-N-(2,3-dimethylphenyl)-3,3-dimethyl-1,2,5-dithiazocane-4-carboxamide

Systemtic Name: 7-azanyl-N-(2,3-dimethylphenyl)-3,3-dimethyl-1,2,5-dithiazocane-4-carboxamide Openeye Name: 7-amino-N-(2,3-dimethylphenyl)-3,3-dimethyl-1,2,5-dithiazocane-4-carboxamide CAS Name: 7-amino-N-(2,3-dimethylphenyl)-3,3-dimethyl-1,2,5-dithiazocane-4-carboxamide IUPAC Name: 7-amino-N-(2,3-dimethylphenyl)-3,3-dimethyl-1,2,5-dithiazocane-4-carboxamide Traditional Name: 7-amino-N-(2,3-dimethylphenyl)-3,3-dimethyl-1,2,5-dithiazocane-4-carboxamide Formula: C16H25N3OS2 MolecularWeight: 339.5192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2C(SSCC(CN2)N)(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2C(SSCC(CN2)N)(C)C)C

InChI

InChI=1S/C16H25N3OS2/c1-10-6-5-7-13(11(10)2)19-15(20)14-16(3,4)22-21-9-12(17)8-18-14/h5-7,12,14,18H,8-9,17H2,1-4H3,(H,19,20)