2-[2,4-bis(chloranyl)phenoxy]-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]propanamide

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]propanamide Openeye Name: 2-(2,4-dichlorophenoxy)-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]propanamide CAS Name: 2-(2,4-dichlorophenoxy)-N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]propanamide Traditional Name: 2-(2,4-dichlorophenoxy)-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]propionamide Formula: C27H21Cl2N5O2S MolecularWeight: 550.45894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H21Cl2N5O2S/c1-15-12-22-23(33-34(32-22)24-9-5-7-17-6-3-4-8-19(17)24)14-21(15)30-27(37)31-26(35)16(2)36-25-11-10-18(28)13-20(25)29/h3-14,16H,1-2H3,(H2,30,31,35,37)