N-[9-[bis(2-cyanoethyl)amino]-5-oxidanylidene-benzo[a]phenothiazin-6-yl]ethanamide

Systemtic Name: N-[9-[bis(2-cyanoethyl)amino]-5-oxidanylidene-benzo[a]phenothiazin-6-yl]ethanamide Openeye Name: N-[9-[bis(2-cyanoethyl)amino]-5-oxo-benzo[a]phenothiazin-6-yl]acetamide CAS Name: N-[9-[bis(2-cyanoethyl)amino]-5-oxo-6-benzo[a]phenothiazinyl]acetamide IUPAC Name: N-[9-[bis(2-cyanoethyl)amino]-5-oxobenzo[a]phenothiazin-6-yl]acetamide Traditional Name: N-[9-[bis(2-cyanoethyl)amino]-5-keto-benzo[a]phenothiazin-6-yl]acetamide Formula: C24H19N5O2S MolecularWeight: 441.50496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=NC3=C(S2)C=C(C=C3)N(CCC#N)CCC#N)C4=CC=CC=C4C1=O

Isomeric SMILES

CC(=O)NC1=C2C(=NC3=C(S2)C=C(C=C3)N(CCC#N)CCC#N)C4=CC=CC=C4C1=O

InChI

InChI=1S/C24H19N5O2S/c1-15(30)27-22-23(31)18-7-3-2-6-17(18)21-24(22)32-20-14-16(8-9-19(20)28-21)29(12-4-10-25)13-5-11-26/h2-3,6-9,14H,4-5,12-13H2,1H3,(H,27,30)