3-(8-isocyano-1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-(phenylmethyl)propan-1-amine

Systemtic Name: 3-(8-isocyano-1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-(phenylmethyl)propan-1-amine Openeye Name: N-benzyl-3-(8-isocyano-1,2-dimethyl-5-oxo-phenothiazin-10-yl)propan-1-amine CAS Name: 3-(8-isocyano-1,2-dimethyl-5-oxo-10-phenothiazinyl)-N-(phenylmethyl)-1-propanamine IUPAC Name: N-benzyl-3-(8-isocyano-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine Traditional Name: benzyl-[3-(8-isocyano-5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl]amine Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCNCC4=CC=CC=C4)C=C(C=C3)[N+]#[C-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCNCC4=CC=CC=C4)C=C(C=C3)[N+]#[C-])C

InChI

InChI=1S/C25H25N3OS/c1-18-10-12-24-25(19(18)2)28(15-7-14-27-17-20-8-5-4-6-9-20)22-16-21(26-3)11-13-23(22)30(24)29/h4-6,8-13,16,27H,7,14-15,17H2,1-2H3