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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3S/c1-5-16(4)17-8-11-19(12-9-17)25-22(28)15-31-24-26-20-14-18(23(29)30-7-3)10-13-21(20)27(24)6-2/h8-14,16H,5-7,15H2,1-4H3,(H,25,28)