2-(1-adamantyl)-N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]acetamide Formula: C27H29N3OS2 MolecularWeight: 475.66866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N3OS2/c1-16-6-7-20(25-28-21-4-2-3-5-23(21)33-25)11-22(16)29-26(32)30-24(31)15-27-12-17-8-18(13-27)10-19(9-17)14-27/h2-7,11,17-19H,8-10,12-15H2,1H3,(H2,29,30,31,32)