N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)carbamothioyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)carbamothioyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)carbamothioyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyanilino)-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)carbamothioyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)thiocarbamoyl]isonipecotamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O4S/c1-26-17-4-2-3-15(11-17)23-21(29)24-9-7-14(8-10-24)20(25)22-16-5-6-18-19(12-16)28-13-27-18/h2-6,11-12,14H,7-10,13H2,1H3,(H,22,25)(H,23,29)