2-(1-adamantyl)-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]acetamide Formula: C21H24ClN3OS2 MolecularWeight: 434.01776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H24ClN3OS2/c1-11-2-17-16(6-15(11)22)23-20(28-17)25-19(27)24-18(26)10-21-7-12-3-13(8-21)5-14(4-12)9-21/h2,6,12-14H,3-5,7-10H2,1H3,(H2,23,24,25,26,27)