N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-chloranyl-butanamide

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-chloranyl-butanamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-chloro-butanamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-4-chlorobutanamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-4-chlorobutanamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-4-chloro-butyramide Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)CCCCl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)CCCCl

InChI

InChI=1S/C19H18ClN3O3S/c1-25-15-9-8-12(18-21-13-5-2-3-6-16(13)26-18)11-14(15)22-19(27)23-17(24)7-4-10-20/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H2,22,23,24,27)