N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-(4-methyl-2-oxo-chromen-7-yl)-4-(1-naphthylmethyl)piperazine-1-carbothioamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-4-(1-naphthalenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-methyl-2-oxochromen-7-yl)-4-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-(2-keto-4-methyl-chromen-7-yl)-4-(1-naphthylmethyl)piperazine-1-carbothioamide Formula: C26H25N3O2S MolecularWeight: 443.5606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H25N3O2S/c1-18-15-25(30)31-24-16-21(9-10-22(18)24)27-26(32)29-13-11-28(12-14-29)17-20-7-4-6-19-5-2-3-8-23(19)20/h2-10,15-16H,11-14,17H2,1H3,(H,27,32)