1-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-ethyl-thiourea

Systemtic Name: 1-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-ethyl-thiourea Openeye Name: 1-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-ethyl-thiourea CAS Name: 1-[[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]amino]-3-ethylthiourea IUPAC Name: 1-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-ethylthiourea Traditional Name: 1-[[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]amino]-3-ethyl-thiourea Formula: C13H14N4OS2 MolecularWeight: 306.40646

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)C=CC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCNC(=S)NNC(=O)/C=C/C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H14N4OS2/c1-2-14-13(19)17-16-11(18)7-8-12-15-9-5-3-4-6-10(9)20-12/h3-8H,2H2,1H3,(H,16,18)(H2,14,17,19)/b8-7+