ethyl 2-[[3-[tert-butyl(phenyl)amino]-3-sulfanylidene-propanoyl]-methyl-amino]-5-chloranyl-benzoate

Systemtic Name: ethyl 2-[[3-[tert-butyl(phenyl)amino]-3-sulfanylidene-propanoyl]-methyl-amino]-5-chloranyl-benzoate Openeye Name: ethyl 2-[[3-(N-tert-butylanilino)-3-thioxo-propanoyl]-methyl-amino]-5-chloro-benzoate CAS Name: 2-[[3-(N-tert-butylanilino)-1-oxo-3-sulfanylidenepropyl]-methylamino]-5-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 2-[[3-(N-tert-butylanilino)-3-sulfanylidenepropanoyl]-methylamino]-5-chlorobenzoate Traditional Name: 2-[[3-(N-tert-butylanilino)-3-thioxo-propanoyl]-methyl-amino]-5-chloro-benzoic acid ethyl ester Formula: C23H27ClN2O3S MolecularWeight: 446.99008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)Cl)N(C)C(=O)CC(=S)N(C2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)Cl)N(C)C(=O)CC(=S)N(C2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C23H27ClN2O3S/c1-6-29-22(28)18-14-16(24)12-13-19(18)25(5)20(27)15-21(30)26(23(2,3)4)17-10-8-7-9-11-17/h7-14H,6,15H2,1-5H3