[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Openeye Name: 1-[(2,5-dimethylphenyl)carbamoyl]propyl 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate CAS Name: 8-(1,3-benzothiazol-2-yl)-1-naphthalenecarboxylic acid [1-(2,5-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-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-[(2,5-dimethylphenyl)carbamoyl]propyl ester Formula: C30H26N2O3S MolecularWeight: 494.60404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26N2O3S/c1-4-25(28(33)31-24-17-18(2)15-16-19(24)3)35-30(34)22-12-8-10-20-9-7-11-21(27(20)22)29-32-23-13-5-6-14-26(23)36-29/h5-17,25H,4H2,1-3H3,(H,31,33)