[(Z)-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethylideneamino] benzoate

Systemtic Name: [(Z)-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethylideneamino] benzoate Openeye Name: [(Z)-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethylideneamino] benzoate CAS Name: benzoic acid [(Z)-1-[10-[3-(dimethylamino)propyl]-2-phenothiazinyl]ethylideneamino] ester IUPAC Name: [(Z)-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethylideneamino] benzoate Traditional Name: benzoic acid [(Z)-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethylideneamino] ester Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)C1=CC=CC=C1)C2=CC3=C(C=C2)SC4=CC=CC=C4N3CCCN(C)C

Isomeric SMILES

C/C(=N/OC(=O)C1=CC=CC=C1)/C2=CC3=C(C=C2)SC4=CC=CC=C4N3CCCN(C)C

InChI

InChI=1S/C26H27N3O2S/c1-19(27-31-26(30)20-10-5-4-6-11-20)21-14-15-25-23(18-21)29(17-9-16-28(2)3)22-12-7-8-13-24(22)32-25/h4-8,10-15,18H,9,16-17H2,1-3H3/b27-19-