N,N-dimethyl-4-(4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl)aniline

Systemtic Name: N,N-dimethyl-4-(4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl)aniline Openeye Name: N,N-dimethyl-4-(4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl)aniline CAS Name: N,N-dimethyl-4-[4-(10-phenothiazinyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]aniline IUPAC Name: N,N-dimethyl-4-(4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl)aniline Traditional Name: dimethyl-[4-(4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl)phenyl]amine Formula: C29H25N3S2 MolecularWeight: 479.6589

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C29H25N3S2/c1-31(2)21-17-15-20(16-18-21)28-19-29(30-22-9-3-6-12-25(22)33-28)32-23-10-4-7-13-26(23)34-27-14-8-5-11-24(27)32/h3-18,28H,19H2,1-2H3