S-[[2-chloranyl-4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-phenyl]carbamoylamino] 2-phenylethanethioate

Systemtic Name: S-[[2-chloranyl-4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-phenyl]carbamoylamino] 2-phenylethanethioate Openeye Name: S-[[2-chloro-4-[[2-(cyclopropanecarbonylamino)-4-pyridyl]oxy]phenyl]carbamoylamino] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[[[2-chloro-4-[[2-[[cyclopropyl(oxo)methyl]amino]-4-pyridinyl]oxy]anilino]-oxomethyl]amino] ester IUPAC Name: S-[[2-chloro-4-[2-(cyclopropanecarbonylamino)pyridin-4-yl]oxyphenyl]carbamoylamino] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[[2-chloro-4-[[2-(cyclopropanecarbonylamino)-4-pyridyl]oxy]phenyl]carbamoylamino] ester Formula: C24H21ClN4O4S MolecularWeight: 496.96594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NC=CC(=C2)OC3=CC(=C(C=C3)NC(=O)NSC(=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CC1C(=O)NC2=NC=CC(=C2)OC3=CC(=C(C=C3)NC(=O)NSC(=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H21ClN4O4S/c25-19-13-17(33-18-10-11-26-21(14-18)28-23(31)16-6-7-16)8-9-20(19)27-24(32)29-34-22(30)12-15-4-2-1-3-5-15/h1-5,8-11,13-14,16H,6-7,12H2,(H,26,28,31)(H2,27,29,32)