1-[2-[(E)-2-[1-(carbamothioylamino)-3-chloranyl-5-methyl-cyclohexa-2,4-dien-1-yl]ethenyl]-3-chloranyl-phenyl]thiourea

Systemtic Name: 1-[2-[(E)-2-[1-(carbamothioylamino)-3-chloranyl-5-methyl-cyclohexa-2,4-dien-1-yl]ethenyl]-3-chloranyl-phenyl]thiourea Openeye Name: [2-[(E)-2-[1-(carbamothioylamino)-3-chloro-5-methyl-cyclohexa-2,4-dien-1-yl]vinyl]-3-chloro-phenyl]thiourea CAS Name: [2-[(E)-2-[1-(carbamothioylamino)-3-chloro-5-methyl-1-cyclohexa-2,4-dienyl]ethenyl]-3-chlorophenyl]thiourea IUPAC Name: [2-[(E)-2-[1-(carbamothioylamino)-3-chloro-5-methylcyclohexa-2,4-dien-1-yl]ethenyl]-3-chlorophenyl]thiourea Traditional Name: [3-chloro-2-[(E)-2-(3-chloro-5-methyl-1-thioureido-cyclohexa-2,4-dien-1-yl)vinyl]phenyl]thiourea Formula: C17H18Cl2N4S2 MolecularWeight: 413.38762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(C1)(C=CC2=C(C=CC=C2Cl)NC(=S)N)NC(=S)N)Cl

Isomeric SMILES

CC1=CC(=CC(C1)(/C=C/C2=C(C=CC=C2Cl)NC(=S)N)NC(=S)N)Cl

InChI

InChI=1S/C17H18Cl2N4S2/c1-10-7-11(18)9-17(8-10,23-16(21)25)6-5-12-13(19)3-2-4-14(12)22-15(20)24/h2-7,9H,8H2,1H3,(H3,20,22,24)(H3,21,23,25)/b6-5+