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

Systemtic Name: (E)-4-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-(phenylmethyl)but-2-en-1-amine Openeye Name: (E)-N-benzyl-4-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)but-2-en-1-amine CAS Name: (E)-4-(1,2-dimethyl-5-oxo-10-phenothiazinyl)-N-(phenylmethyl)-2-buten-1-amine IUPAC Name: (E)-N-benzyl-4-(1,2-dimethyl-5-oxophenothiazin-10-yl)but-2-en-1-amine Traditional Name: benzyl-[(E)-4-(5-keto-1,2-dimethyl-phenothiazin-10-yl)but-2-enyl]amine Formula: C25H26N2OS MolecularWeight: 402.55174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CC=CCNCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2C/C=C/CNCC4=CC=CC=C4)C

InChI

InChI=1S/C25H26N2OS/c1-19-14-15-24-25(20(19)2)27(22-12-6-7-13-23(22)29(24)28)17-9-8-16-26-18-21-10-4-3-5-11-21/h3-15,26H,16-18H2,1-2H3/b9-8+