2-diethylaminoethyl 2-[(4-aminophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: 2-diethylaminoethyl 2-[(4-aminophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: 2-diethylaminoethyl 2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-aminophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid 2-diethylaminoethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H24N4O3S/c1-3-25(4-2)11-12-28-20(27)15-7-10-17-18(13-15)29-21(23-17)24-19(26)14-5-8-16(22)9-6-14/h5-10,13H,3-4,11-12,22H2,1-2H3,(H,23,24,26)