4-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-(phenylmethyl)butan-2-amine

Systemtic Name: 4-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-(phenylmethyl)butan-2-amine Openeye Name: N-benzyl-4-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)butan-2-amine CAS Name: 4-(1,2-dimethyl-5-oxo-10-phenothiazinyl)-N-(phenylmethyl)-2-butanamine IUPAC Name: N-benzyl-4-(1,2-dimethyl-5-oxophenothiazin-10-yl)butan-2-amine Traditional Name: benzyl-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)-1-methyl-propyl]amine Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCC(C)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCC(C)NCC4=CC=CC=C4)C

InChI

InChI=1S/C25H28N2OS/c1-18-13-14-24-25(20(18)3)27(22-11-7-8-12-23(22)29(24)28)16-15-19(2)26-17-21-9-5-4-6-10-21/h4-14,19,26H,15-17H2,1-3H3