ethyl (NZ)-N-[[[2-(butanoylamino)-4-phenoxy-phenyl]amino]-methylsulfanyl-methylidene]carbamate

Systemtic Name: ethyl (NZ)-N-[[[2-(butanoylamino)-4-phenoxy-phenyl]amino]-methylsulfanyl-methylidene]carbamate Openeye Name: ethyl (NZ)-N-[[2-(butanoylamino)-4-phenoxy-anilino]-methylsulfanyl-methylene]carbamate CAS Name: (NZ)-N-[(methylthio)-[2-(1-oxobutylamino)-4-phenoxyanilino]methylidene]carbamic acid ethyl ester IUPAC Name: ethyl (NZ)-N-[[2-(butanoylamino)-4-phenoxyanilino]-methylsulfanylmethylidene]carbamate Traditional Name: (NZ)-N-[(2-butyramido-4-phenoxy-anilino)-(methylthio)methylene]carbamic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=CC(=C1)OC2=CC=CC=C2)NC(=NC(=O)OCC)SC

Isomeric SMILES

CCCC(=O)NC1=C(C=CC(=C1)OC2=CC=CC=C2)N/C(=N/C(=O)OCC)/SC

InChI

InChI=1S/C21H25N3O4S/c1-4-9-19(25)22-18-14-16(28-15-10-7-6-8-11-15)12-13-17(18)23-20(29-3)24-21(26)27-5-2/h6-8,10-14H,4-5,9H2,1-3H3,(H,22,25)(H,23,24,26)