tert-butyl N-[1-[(10-hexyl-3,7-dimethoxy-9,9a-dihydrophenothiazin-4-yl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(10-hexyl-3,7-dimethoxy-9,9a-dihydrophenothiazin-4-yl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-[(10-hexyl-3,7-dimethoxy-9,9a-dihydrophenothiazin-4-yl)methylamino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[(10-hexyl-3,7-dimethoxy-9,9a-dihydrophenothiazin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(10-hexyl-3,7-dimethoxy-9,9a-dihydrophenothiazin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-[(10-hexyl-3,7-dimethoxy-9,9a-dihydrophenothiazin-4-yl)methylamino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C35H47N3O5S MolecularWeight: 621.82978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2CC=C(C=C2SC3=C1C=CC(=C3CNC(=O)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C)OC)OC

Isomeric SMILES

CCCCCCN1C2CC=C(C=C2SC3=C1C=CC(=C3CNC(=O)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C)OC)OC

InChI

InChI=1S/C35H47N3O5S/c1-7-8-9-13-20-38-28-17-16-25(41-5)22-31(28)44-32-26(30(42-6)19-18-29(32)38)23-36-33(39)27(21-24-14-11-10-12-15-24)37-34(40)43-35(2,3)4/h10-12,14-16,18-19,22,27-28H,7-9,13,17,20-21,23H2,1-6H3,(H,36,39)(H,37,40)