4-[[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-methyl-N-propyl-pyrazole-3-carboxamide

Systemtic Name: 4-[[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-methyl-N-propyl-pyrazole-3-carboxamide Openeye Name: 4-[[4-methoxy-3-(thiomorpholinomethyl)phenyl]methyleneamino]-2-methyl-N-propyl-pyrazole-3-carboxamide CAS Name: 4-[[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-methyl-N-propyl-3-pyrazolecarboxamide IUPAC Name: 4-[[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-methyl-N-propylpyrazole-3-carboxamide Traditional Name: 4-[[4-methoxy-3-(thiomorpholinomethyl)benzylidene]amino]-2-methyl-N-propyl-pyrazole-3-carboxamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C=NN1C)N=CC2=CC(=C(C=C2)OC)CN3CCSCC3

Isomeric SMILES

CCCNC(=O)C1=C(C=NN1C)N=CC2=CC(=C(C=C2)OC)CN3CCSCC3

InChI

InChI=1S/C21H29N5O2S/c1-4-7-22-21(27)20-18(14-24-25(20)2)23-13-16-5-6-19(28-3)17(12-16)15-26-8-10-29-11-9-26/h5-6,12-14H,4,7-11,15H2,1-3H3,(H,22,27)