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

Systemtic Name: ethyl 4-[4-[2-azanyl-3-[(2-azanyl-4-methyl-phenyl)carbamothioyloxy]-3-oxidanylidene-propyl]phenoxy]butanoate Openeye Name: ethyl 4-[4-[2-amino-3-[(2-amino-4-methyl-phenyl)carbamothioyloxy]-3-oxo-propyl]phenoxy]butanoate CAS Name: 4-[4-[2-amino-3-[(2-amino-4-methylanilino)-sulfanylidenemethoxy]-3-oxopropyl]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-amino-3-[(2-amino-4-methylphenyl)carbamothioyloxy]-3-oxopropyl]phenoxy]butanoate Traditional Name: 4-[4-[2-amino-3-[(2-amino-4-methyl-phenyl)thiocarbamoyloxy]-3-keto-propyl]phenoxy]butyric acid ethyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S/c1-3-29-21(27)5-4-12-30-17-9-7-16(8-10-17)14-19(25)22(28)31-23(32)26-20-11-6-15(2)13-18(20)24/h6-11,13,19H,3-5,12,14,24-25H2,1-2H3,(H,26,32)