4-(1,3-benzodioxol-5-ylamino)-N-(4-methoxyphenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylamino)-N-(4-methoxyphenyl)piperidine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylamino)-N-(4-methoxyphenyl)piperidine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylamino)-N-(4-methoxyphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylamino)-N-(4-methoxyphenyl)piperidine-1-carbothioamide Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-N-(4-methoxyphenyl)piperidine-1-carbothioamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-24-17-5-2-14(3-6-17)22-20(27)23-10-8-15(9-11-23)21-16-4-7-18-19(12-16)26-13-25-18/h2-7,12,15,21H,8-11,13H2,1H3,(H,22,27)