1-(1,3-benzodioxol-5-yl)-N-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]methanamine

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]methanamine Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]methanamine CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[[1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methyl]methanamine IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]methanamine Traditional Name: [1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl-piperonyl-amine Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3CNCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3CNCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O2S/c1-14-4-6-17-20(9-14)27-21(23-17)24-8-2-3-16(24)12-22-11-15-5-7-18-19(10-15)26-13-25-18/h2-10,22H,11-13H2,1H3