1-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methyleneamino]thiourea CAS Name: 1-[(E)-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-benzylidene]amino]thiourea Formula: C20H20N4OS3 MolecularWeight: 428.594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=S)NCC=C)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=S)NCC=C)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N4OS3/c1-3-10-21-19(26)24-22-12-14-8-9-17(25-2)15(11-14)13-27-20-23-16-6-4-5-7-18(16)28-20/h3-9,11-12H,1,10,13H2,2H3,(H2,21,24,26)/b22-12+