methyl 8,9-dimethyl-5-oxidanylidene-10-[3-[(phenylmethyl)amino]propyl]phenothiazine-4-carboxylate

Systemtic Name: methyl 8,9-dimethyl-5-oxidanylidene-10-[3-[(phenylmethyl)amino]propyl]phenothiazine-4-carboxylate Openeye Name: methyl 10-[3-(benzylamino)propyl]-8,9-dimethyl-5-oxo-phenothiazine-4-carboxylate CAS Name: 8,9-dimethyl-5-oxo-10-[3-[(phenylmethyl)amino]propyl]-4-phenothiazinecarboxylic acid methyl ester IUPAC Name: methyl 10-[3-(benzylamino)propyl]-8,9-dimethyl-5-oxophenothiazine-4-carboxylate Traditional Name: 10-[3-(benzylamino)propyl]-5-keto-8,9-dimethyl-phenothiazine-4-carboxylic acid methyl ester Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=C(C=CC=C3N2CCCNCC4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=C(C=CC=C3N2CCCNCC4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C26H28N2O3S/c1-18-13-14-23-24(19(18)2)28(16-8-15-27-17-20-9-5-4-6-10-20)22-12-7-11-21(26(29)31-3)25(22)32(23)30/h4-7,9-14,27H,8,15-17H2,1-3H3