3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[2-(cyclohexylcarbamoylamino)thiazol-4-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[2-[[(cyclohexylamino)-oxomethyl]amino]-4-thiazolyl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[2-(cyclohexylcarbamoylamino)thiazol-4-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCC3=CSC(=N3)NC(=O)NC4CCCCC4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCC3=CSC(=N3)NC(=O)NC4CCCCC4

InChI

InChI=1S/C21H25N5O2S2/c1-13-6-5-9-16-18(13)25-21(30-16)24-17(27)11-10-15-12-29-20(23-15)26-19(28)22-14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,24,25,27)(H2,22,23,26,28)