2-[2-(butylcarbamoyloxy)ethyl-(2-chloranylphenothiazin-10-yl)carbonyl-amino]ethyl N-butylcarbamate

Systemtic Name: 2-[2-(butylcarbamoyloxy)ethyl-(2-chloranylphenothiazin-10-yl)carbonyl-amino]ethyl N-butylcarbamate Openeye Name: 2-[2-(butylcarbamoyloxy)ethyl-(2-chlorophenothiazine-10-carbonyl)amino]ethyl N-butylcarbamate CAS Name: N-butylcarbamic acid 2-[2-[butylamino(oxo)methoxy]ethyl-[(2-chloro-10-phenothiazinyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[2-(butylcarbamoyloxy)ethyl-(2-chlorophenothiazine-10-carbonyl)amino]ethyl N-butylcarbamate Traditional Name: N-butylcarbamic acid 2-[2-(butylcarbamoyloxy)ethyl-(2-chlorophenothiazine-10-carbonyl)amino]ethyl ester Formula: C27H35ClN4O5S MolecularWeight: 563.1086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OCCN(CCOC(=O)NCCCC)C(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CCCCNC(=O)OCCN(CCOC(=O)NCCCC)C(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C27H35ClN4O5S/c1-3-5-13-29-25(33)36-17-15-31(16-18-37-26(34)30-14-6-4-2)27(35)32-21-9-7-8-10-23(21)38-24-12-11-20(28)19-22(24)32/h7-12,19H,3-6,13-18H2,1-2H3,(H,29,33)(H,30,34)