2-(1-adamantyl)-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]acetamide Formula: C30H31N5OS MolecularWeight: 509.66504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C6=CC=CC7=CC=CC=C76

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C6=CC=CC7=CC=CC=C76

InChI

InChI=1S/C30H31N5OS/c1-18-9-25-26(34-35(33-25)27-8-4-6-22-5-2-3-7-23(22)27)13-24(18)31-29(37)32-28(36)17-30-14-19-10-20(15-30)12-21(11-19)16-30/h2-9,13,19-21H,10-12,14-17H2,1H3,(H2,31,32,36,37)