ethyl N-[10-[3-[1-adamantyl(methyl)amino]propanoyl]phenothiazin-2-yl]carbamate

Systemtic Name: ethyl N-[10-[3-[1-adamantyl(methyl)amino]propanoyl]phenothiazin-2-yl]carbamate Openeye Name: ethyl N-[10-[3-[1-adamantyl(methyl)amino]propanoyl]phenothiazin-2-yl]carbamate CAS Name: N-[10-[3-[1-adamantyl(methyl)amino]-1-oxopropyl]-2-phenothiazinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[10-[3-[1-adamantyl(methyl)amino]propanoyl]phenothiazin-2-yl]carbamate Traditional Name: N-[10-[3-[1-adamantyl(methyl)amino]propanoyl]phenothiazin-2-yl]carbamic acid ethyl ester Formula: C29H35N3O3S MolecularWeight: 505.6715

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN(C)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN(C)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H35N3O3S/c1-3-35-28(34)30-22-8-9-26-24(15-22)32(23-6-4-5-7-25(23)36-26)27(33)10-11-31(2)29-16-19-12-20(17-29)14-21(13-19)18-29/h4-9,15,19-21H,3,10-14,16-18H2,1-2H3,(H,30,34)