1-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-heptyl-thiourea

Systemtic Name: 1-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-heptyl-thiourea Openeye Name: 1-[(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-heptyl-thiourea CAS Name: 1-[(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-heptylthiourea IUPAC Name: 1-[(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-heptylthiourea Traditional Name: 1-[(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-heptyl-thiourea Formula: C15H22ClN3OS MolecularWeight: 327.87268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NNC=C1C=C(C=CC1=O)Cl

Isomeric SMILES

CCCCCCCNC(=S)NNC=C1C=C(C=CC1=O)Cl

InChI

InChI=1S/C15H22ClN3OS/c1-2-3-4-5-6-9-17-15(21)19-18-11-12-10-13(16)7-8-14(12)20/h7-8,10-11,18H,2-6,9H2,1H3,(H2,17,19,21)