N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[2-(phenylcarbamoylamino)thiazol-4-yl]propanamide CAS Name: 3-[2-[[anilino(oxo)methyl]amino]-4-thiazolyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-[2-(phenylcarbamoylamino)thiazol-4-yl]propionamide Formula: C21H19N5O4S3 MolecularWeight: 501.60166

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=CSC(=N3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=CSC(=N3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O4S3/c1-33(29,30)15-8-9-16-17(11-15)32-21(24-16)25-18(27)10-7-14-12-31-20(23-14)26-19(28)22-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,24,25,27)(H2,22,23,26,28)