N-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]-1,3-benzothiazol-2-yl]butyramide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H22N4O3S2/c1-3-4-19(27)26-22-24-17-11-8-15(13-18(17)31-22)23-21(30)25-20(28)12-7-14-5-9-16(29-2)10-6-14/h5-13H,3-4H2,1-2H3,(H,24,26,27)(H2,23,25,28,30)/b12-7+