N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(morpholinomethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(morpholinomethyl)phenyl]thiocarbamoyl]-piperonylamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O4S/c24-19(15-3-6-17-18(11-15)27-13-26-17)22-20(28)21-16-4-1-14(2-5-16)12-23-7-9-25-10-8-23/h1-6,11H,7-10,12-13H2,(H2,21,22,24,28)