4-(1,3-benzodioxol-5-ylamino)-N-[(4-fluorophenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylamino)-N-[(4-fluorophenyl)methyl]piperidine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylamino)-N-[(4-fluorophenyl)methyl]piperidine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylamino)-N-[(4-fluorophenyl)methyl]-1-piperidinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylamino)-N-[(4-fluorophenyl)methyl]piperidine-1-carbothioamide Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-N-(4-fluorobenzyl)piperidine-1-carbothioamide Formula: C20H22FN3O2S MolecularWeight: 387.470983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1NC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C20H22FN3O2S/c21-15-3-1-14(2-4-15)12-22-20(27)24-9-7-16(8-10-24)23-17-5-6-18-19(11-17)26-13-25-18/h1-6,11,16,23H,7-10,12-13H2,(H,22,27)