1-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenethyl-thiourea

Systemtic Name: 1-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenethyl-thiourea Openeye Name: 1-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenethyl-thiourea CAS Name: 1-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-phenethylthiourea IUPAC Name: 1-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenethylthiourea Traditional Name: 1-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenethyl-thiourea Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NNC=C2C=CC(=O)C=C2

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NNC=C2C=CC(=O)C=C2

InChI

InChI=1S/C16H17N3OS/c20-15-8-6-14(7-9-15)12-18-19-16(21)17-11-10-13-4-2-1-3-5-13/h1-9,12,18H,10-11H2,(H2,17,19,21)