(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 6-(aminocarbonylamino)hexanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 6-(aminocarbonylamino)hexanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 6-ureidohexanoate CAS Name: 6-(carbamoylamino)hexanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 6-(carbamoylamino)hexanoate Traditional Name: 6-ureidohexanoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)CCCCCNC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)CCCCCNC(=O)N

InChI

InChI=1S/C21H23N3O4S/c22-21(27)23-13-7-1-2-12-20(26)28-14-19(25)24-15-8-3-5-10-17(15)29-18-11-6-4-9-16(18)24/h3-6,8-11H,1-2,7,12-14H2,(H3,22,23,27)