3-[(4-methoxyphenyl)carbamoylamino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 3-[(4-methoxyphenyl)carbamoylamino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-[(4-methoxyphenyl)carbamoylamino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-[[(4-methoxyanilino)-oxomethyl]amino]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-[(4-methoxyphenyl)carbamoylamino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-[(4-methoxyphenyl)carbamoylamino]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NCCC(=O)NC2=CC3=C(C=C2)N=C(S3)SC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NCCC(=O)NC2=CC3=C(C=C2)N=C(S3)SC

InChI

InChI=1S/C19H20N4O3S2/c1-26-14-6-3-12(4-7-14)22-18(25)20-10-9-17(24)21-13-5-8-15-16(11-13)28-19(23-15)27-2/h3-8,11H,9-10H2,1-2H3,(H,21,24)(H2,20,22,25)