N-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]-2-phenyl-ethanamine

Systemtic Name: N-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]-2-phenyl-ethanamine Openeye Name: N-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]-2-phenyl-ethanamine CAS Name: N-[[1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methyl]-2-phenylethanamine IUPAC Name: N-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]-2-phenylethanamine Traditional Name: [1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl-phenethyl-amine Formula: C21H21N3S MolecularWeight: 347.47654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3CNCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3CNCCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3S/c1-16-9-10-19-20(14-16)25-21(23-19)24-13-5-8-18(24)15-22-12-11-17-6-3-2-4-7-17/h2-10,13-14,22H,11-12,15H2,1H3