N',N'-dimethyl-N-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ethane-1,2-diamine

Systemtic Name: N',N'-dimethyl-N-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ethane-1,2-diamine Openeye Name: N',N'-dimethyl-N-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ethane-1,2-diamine CAS Name: N',N'-dimethyl-N-[[1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methyl]ethane-1,2-diamine IUPAC Name: N',N'-dimethyl-N-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ethane-1,2-diamine Traditional Name: dimethyl-[2-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methylamino]ethyl]amine Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3CNCCN(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3CNCCN(C)C

InChI

InChI=1S/C17H22N4S/c1-13-6-7-15-16(11-13)22-17(19-15)21-9-4-5-14(21)12-18-8-10-20(2)3/h4-7,9,11,18H,8,10,12H2,1-3H3