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

Systemtic Name: 1-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 1-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-benzyl-1-methyl-thiourea CAS Name: 1-[[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]amino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 1-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-benzyl-1-methylthiourea Traditional Name: 1-[[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]amino]-3-benzyl-1-methyl-thiourea Formula: C19H18N4OS2 MolecularWeight: 382.50242

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N4OS2/c1-23(19(25)20-13-14-7-3-2-4-8-14)22-17(24)11-12-18-21-15-9-5-6-10-16(15)26-18/h2-12H,13H2,1H3,(H,20,25)(H,22,24)/b12-11+