N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)-3-methyl-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)-3-methylpiperazine-1-carbothioamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H25N3O3S/c1-15-14-23(9-10-24(15)17-4-6-18(25-2)7-5-17)21(28)22-16-3-8-19-20(13-16)27-12-11-26-19/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,28)