N-[4-[(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]butyl]-4-chloranyl-benzenecarbothioamide

Systemtic Name: N-[4-[(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]butyl]-4-chloranyl-benzenecarbothioamide Openeye Name: N-[4-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]butyl]-4-chloro-benzenecarbothioamide CAS Name: N-[4-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]butyl]-4-chlorobenzenecarbothioamide IUPAC Name: N-[4-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]butyl]-4-chlorobenzenecarbothioamide Traditional Name: N-[4-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]butyl]-4-chloro-thiobenzamide Formula: C21H25ClN4OS MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NC2=C(O1)C=CC(=C2)CNCCCCNC(=S)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC1C(=NC2=C(O1)C=CC(=C2)CNCCCCNC(=S)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C21H25ClN4OS/c1-14-20(23)26-18-12-15(4-9-19(18)27-14)13-24-10-2-3-11-25-21(28)16-5-7-17(22)8-6-16/h4-9,12,14,24H,2-3,10-11,13H2,1H3,(H2,23,26)(H,25,28)