1-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloranyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-3-tert-butyl-urea

Systemtic Name: 1-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloranyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-3-tert-butyl-urea Openeye Name: 1-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxo-cyclohexa-1,4-dien-1-yl]-3-tert-butyl-urea CAS Name: 1-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxo-1-cyclohexa-1,4-dienyl]-3-tert-butylurea IUPAC Name: 1-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxocyclohexa-1,4-dien-1-yl]-3-tert-butylurea Traditional Name: 1-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-keto-cyclohexa-1,4-dien-1-yl]-3-tert-butyl-urea Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CC(=C2NC3=CC=CC=C3S2)C=C(C1=O)Cl

Isomeric SMILES

CC(C)(C)NC(=O)NC1=C/C(=C/2\NC3=CC=CC=C3S2)/C=C(C1=O)Cl

InChI

InChI=1S/C18H18ClN3O2S/c1-18(2,3)22-17(24)21-13-9-10(8-11(19)15(13)23)16-20-12-6-4-5-7-14(12)25-16/h4-9,20H,1-3H3,(H2,21,22,24)/b16-10+