(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[(propan-2-ylamino)methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[(propan-2-ylamino)methyl]cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[(isopropylamino)methyl]cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[(propan-2-ylamino)methyl]-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[(propan-2-ylamino)methyl]cyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[(isopropylamino)methyl]cyclohexa-2,5-dien-1-one Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC(=C2NC3=CC=CC=C3S2)C=CC1=O

Isomeric SMILES

CC(C)NCC1=C/C(=C/2\NC3=CC=CC=C3S2)/C=CC1=O

InChI

InChI=1S/C17H18N2OS/c1-11(2)18-10-13-9-12(7-8-15(13)20)17-19-14-5-3-4-6-16(14)21-17/h3-9,11,18-19H,10H2,1-2H3/b17-12+