2-(1-adamantyl)-N,N'-bis(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)propanediamide

Systemtic Name: 2-(1-adamantyl)-N,N'-bis(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)propanediamide Openeye Name: 2-(1-adamantyl)-N,N'-bis(5-chloro-6-methyl-1,3-benzothiazol-2-yl)propanediamide CAS Name: 2-(1-adamantyl)-N,N'-bis(5-chloro-6-methyl-1,3-benzothiazol-2-yl)propanediamide IUPAC Name: 2-(1-adamantyl)-N,N'-bis(5-chloro-6-methyl-1,3-benzothiazol-2-yl)propanediamide Traditional Name: 2-(1-adamantyl)-N,N'-bis(5-chloro-6-methyl-1,3-benzothiazol-2-yl)malonamide Formula: C29H28Cl2N4O2S2 MolecularWeight: 599.59422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=O)C(C(=O)NC3=NC4=C(S3)C=C(C(=C4)Cl)C)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=O)C(C(=O)NC3=NC4=C(S3)C=C(C(=C4)Cl)C)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H28Cl2N4O2S2/c1-13-3-22-20(8-18(13)30)32-27(38-22)34-25(36)24(29-10-15-5-16(11-29)7-17(6-15)12-29)26(37)35-28-33-21-9-19(31)14(2)4-23(21)39-28/h3-4,8-9,15-17,24H,5-7,10-12H2,1-2H3,(H,32,34,36)(H,33,35,37)