3-(7-isocyano-1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propan-1-amine

Systemtic Name: 3-(7-isocyano-1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propan-1-amine Openeye Name: 3-(7-isocyano-1,2-dimethyl-5-oxo-phenothiazin-10-yl)propan-1-amine CAS Name: 3-(7-isocyano-1,2-dimethyl-5-oxo-10-phenothiazinyl)-1-propanamine IUPAC Name: 3-(7-isocyano-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine Traditional Name: 3-(7-isocyano-5-keto-1,2-dimethyl-phenothiazin-10-yl)propylamine Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCN)C=CC(=C3)[N+]#[C-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCN)C=CC(=C3)[N+]#[C-])C

InChI

InChI=1S/C18H19N3OS/c1-12-5-8-16-18(13(12)2)21(10-4-9-19)15-7-6-14(20-3)11-17(15)23(16)22/h5-8,11H,4,9-10,19H2,1-2H3