ethyl 4-[4-[2-azanyl-3-[(4-bromophenyl)carbamothioyloxy]-3-oxidanylidene-propyl]phenoxy]butanoate

Systemtic Name: ethyl 4-[4-[2-azanyl-3-[(4-bromophenyl)carbamothioyloxy]-3-oxidanylidene-propyl]phenoxy]butanoate Openeye Name: ethyl 4-[4-[2-amino-3-[(4-bromophenyl)carbamothioyloxy]-3-oxo-propyl]phenoxy]butanoate CAS Name: 4-[4-[2-amino-3-[(4-bromoanilino)-sulfanylidenemethoxy]-3-oxopropyl]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-amino-3-[(4-bromophenyl)carbamothioyloxy]-3-oxopropyl]phenoxy]butanoate Traditional Name: 4-[4-[2-amino-3-[(4-bromophenyl)thiocarbamoyloxy]-3-keto-propyl]phenoxy]butyric acid ethyl ester Formula: C22H25BrN2O5S MolecularWeight: 509.4133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=C(C=C1)CC(C(=O)OC(=S)NC2=CC=C(C=C2)Br)N

Isomeric SMILES

CCOC(=O)CCCOC1=CC=C(C=C1)CC(C(=O)OC(=S)NC2=CC=C(C=C2)Br)N

InChI

InChI=1S/C22H25BrN2O5S/c1-2-28-20(26)4-3-13-29-18-11-5-15(6-12-18)14-19(24)21(27)30-22(31)25-17-9-7-16(23)8-10-17/h5-12,19H,2-4,13-14,24H2,1H3,(H,25,31)