ethyl 4-[[5-methoxy-2-[(2-methyl-1,3-oxazol-5-yl)methylamino]phenyl]carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[5-methoxy-2-[(2-methyl-1,3-oxazol-5-yl)methylamino]phenyl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[5-methoxy-2-[(2-methyloxazol-5-yl)methylamino]phenyl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[5-methoxy-2-[(2-methyl-5-oxazolyl)methylamino]anilino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-methoxy-2-[(2-methyl-1,3-oxazol-5-yl)methylamino]phenyl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[5-methoxy-2-[(2-methyloxazol-5-yl)methylamino]phenyl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(C=CC(=C2)OC)NCC3=CN=C(O3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(C=CC(=C2)OC)NCC3=CN=C(O3)C

InChI

InChI=1S/C21H29N5O4S/c1-4-29-21(27)26-9-7-15(8-10-26)24-20(31)25-19-11-16(28-3)5-6-18(19)23-13-17-12-22-14(2)30-17/h5-6,11-12,15,23H,4,7-10,13H2,1-3H3,(H2,24,25,31)