[1-[(4-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate

Systemtic Name: [1-[(4-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Openeye Name: 1-[(4-chlorophenyl)carbamoyl]propyl 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate CAS Name: 8-(1,3-benzothiazol-2-yl)-1-naphthalenecarboxylic acid [1-(4-chloroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-chloroanilino)-1-oxobutan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Traditional Name: 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylic acid 1-[(4-chlorophenyl)carbamoyl]propyl ester Formula: C28H21ClN2O3S MolecularWeight: 500.99594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)C2=CC=CC3=C2C(=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)C2=CC=CC3=C2C(=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H21ClN2O3S/c1-2-23(26(32)30-19-15-13-18(29)14-16-19)34-28(33)21-10-6-8-17-7-5-9-20(25(17)21)27-31-22-11-3-4-12-24(22)35-27/h3-16,23H,2H2,1H3,(H,30,32)