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

Systemtic Name: 4-chloranyl-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]butanamide Openeye Name: 4-chloro-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]butanamide CAS Name: 4-chloro-N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]butanamide Traditional Name: 4-chloro-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]butyramide Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CCCCl)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CCCCl)C3=CC=CC=C3

InChI

InChI=1S/C18H18ClN5OS/c1-12-10-15-16(23-24(22-15)13-6-3-2-4-7-13)11-14(12)20-18(26)21-17(25)8-5-9-19/h2-4,6-7,10-11H,5,8-9H2,1H3,(H2,20,21,25,26)