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

Systemtic Name: 1-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-(phenylmethyl)thiourea Openeye Name: 1-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-benzyl-thiourea CAS Name: 1-[[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-benzylthiourea Traditional Name: 1-[[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]amino]-3-benzyl-thiourea Formula: C18H16N4OS2 MolecularWeight: 368.47584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16N4OS2/c23-16(10-11-17-20-14-8-4-5-9-15(14)25-17)21-22-18(24)19-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,21,23)(H2,19,22,24)/b11-10+