ethyl 2-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(4-butylanilino)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-(4-butylanilino)-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(4-butylanilino)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2CC)C=CC(=C3)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2CC)C=CC(=C3)C(=O)OCC

InChI

InChI=1S/C24H29N3O3S/c1-4-7-8-17-9-12-19(13-10-17)25-22(28)16-31-24-26-20-15-18(23(29)30-6-3)11-14-21(20)27(24)5-2/h9-15H,4-8,16H2,1-3H3,(H,25,28)