4-chloranyl-N-[[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]butanamide

Systemtic Name: 4-chloranyl-N-[[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]butanamide Openeye Name: 4-chloro-N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]butanamide CAS Name: 4-chloro-N-[[[2-(3-chloro-4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]butanamide Traditional Name: 4-chloro-N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]thiocarbamoyl]butyramide Formula: C18H17Cl2N5O2S MolecularWeight: 438.33088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CCCCl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CCCCl)Cl

InChI

InChI=1S/C18H17Cl2N5O2S/c1-27-16-7-5-12(10-13(16)20)25-23-14-6-4-11(9-15(14)24-25)21-18(28)22-17(26)3-2-8-19/h4-7,9-10H,2-3,8H2,1H3,(H2,21,22,26,28)