N-[2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]adamantane-1-carboxamide

Systemtic Name: N-[2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Openeye Name: N-[2-[2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]adamantane-1-carboxamide CAS Name: N-[2-[[2-(2-methylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-1-adamantanecarboxamide IUPAC Name: N-[2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Traditional Name: N-[2-[[2-keto-2-(o-toluidino)ethyl]thio]-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Formula: C27H29N3O2S2 MolecularWeight: 491.66806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N3O2S2/c1-16-4-2-3-5-21(16)29-24(31)15-33-26-30-22-7-6-20(11-23(22)34-26)28-25(32)27-12-17-8-18(13-27)10-19(9-17)14-27/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,28,32)(H,29,31)