(4-isothiocyanatonaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone

Systemtic Name: (4-isothiocyanatonaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone Openeye Name: (4-isothiocyanato-1-naphthyl)-[2-methyl-1-(2-morpholinoethyl)indol-3-yl]methanone CAS Name: (4-isothiocyanato-1-naphthalenyl)-[2-methyl-1-[2-(4-morpholinyl)ethyl]-3-indolyl]methanone IUPAC Name: (4-isothiocyanatonaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone Traditional Name: (4-isothiocyanato-1-naphthyl)-[2-methyl-1-(2-morpholinoethyl)indol-3-yl]methanone Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CCN3CCOCC3)C(=O)C4=CC=C(C5=CC=CC=C54)N=C=S

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CCN3CCOCC3)C(=O)C4=CC=C(C5=CC=CC=C54)N=C=S

InChI

InChI=1S/C27H25N3O2S/c1-19-26(27(31)22-10-11-24(28-18-33)21-7-3-2-6-20(21)22)23-8-4-5-9-25(23)30(19)13-12-29-14-16-32-17-15-29/h2-11H,12-17H2,1H3