N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3-methyl-butyramide Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H18ClN5OS/c1-11(2)8-17(25)21-18(26)20-14-10-16-15(9-13(14)19)22-24(23-16)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H2,20,21,25,26)