4-chloranyl-N-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide

Systemtic Name: 4-chloranyl-N-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide Openeye Name: 4-chloro-N-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide CAS Name: 4-chloro-N-[[3-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide Traditional Name: 4-chloro-N-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]butyramide Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=CC=C3)NC(=S)NC(=O)CCCCl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=CC=C3)NC(=S)NC(=O)CCCCl

InChI

InChI=1S/C19H18ClN3O2S/c1-12-7-8-15-16(10-12)25-18(22-15)13-4-2-5-14(11-13)21-19(26)23-17(24)6-3-9-20/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H2,21,23,24,26)