3-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]butanamide Openeye Name: 3-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]butanamide CAS Name: 3-methyl-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]butanamide Traditional Name: 3-methyl-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]butyramide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=CC=C3

InChI

InChI=1S/C18H19N5OS/c1-12(2)10-17(24)20-18(25)19-13-8-9-15-16(11-13)22-23(21-15)14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3,(H2,19,20,24,25)