[2-[(4-propan-2-ylphenyl)carbamoylamino]-1,3-benzothiazol-6-yl] butanoate

Systemtic Name: [2-[(4-propan-2-ylphenyl)carbamoylamino]-1,3-benzothiazol-6-yl] butanoate Openeye Name: [2-[(4-isopropylphenyl)carbamoylamino]-1,3-benzothiazol-6-yl] butanoate CAS Name: butanoic acid [2-[[oxo-(4-propan-2-ylanilino)methyl]amino]-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-[(4-propan-2-ylphenyl)carbamoylamino]-1,3-benzothiazol-6-yl] butanoate Traditional Name: butyric acid [2-(p-cumenylcarbamoylamino)-1,3-benzothiazol-6-yl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCC(=O)OC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H23N3O3S/c1-4-5-19(25)27-16-10-11-17-18(12-16)28-21(23-17)24-20(26)22-15-8-6-14(7-9-15)13(2)3/h6-13H,4-5H2,1-3H3,(H2,22,23,24,26)