N-(6-methyl-1,3-benzothiazol-2-yl)-3-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]sulfanyl-propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thio]propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]sulfanylpropanamide Traditional Name: 3-[[3-keto-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]propyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C22H22N4O2S3 MolecularWeight: 470.63068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSCCC(=O)NC3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSCCC(=O)NC3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C22H22N4O2S3/c1-13-3-5-15-17(11-13)30-21(23-15)25-19(27)7-9-29-10-8-20(28)26-22-24-16-6-4-14(2)12-18(16)31-22/h3-6,11-12H,7-10H2,1-2H3,(H,23,25,27)(H,24,26,28)